HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-Butylpyrrolidine

HCID 69843
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
767-10-2
Standard SMILES
CCCCN1CCCC1
InChIKey
JSHASCFKOSDFHY-UHFFFAOYSA-N
Molecular formula
C8H17N
Average molar mass
127.23 g/mol
Monoisotopic mass
127.13609955

Names & identifiers

Preferred name
1-Butylpyrrolidine
IUPAC
1-butylpyrrolidine
English name
1-Butylpyrrolidine
Molecular formula
C8H17N
Molecular weight
127.23

Names & synonyms

1-ButylpyrrolidinePyrrolidine, 1-butyl-EINECS 212-179-4IL9P094Z6JBRN 0102915N-bButyl-tetrahydropyrroleUNII-IL9P094Z6J5-20-01-00170 (Beilstein Handbook Reference)DTXSID20227494RefChem:75283DTXCID20149985JSHASCFKOSDFHY-UHFFFAOYSA-N
Show more names
1-butylpyrolidine1-butyl-pyrrolidinN-BUTYL PYRROLIDINE1-BUTYLPYRROLIDINE FOR SYNTHESIS
767-10-2n-ButylpyrrolidinebutylpyrrolidineMFCD000031841-butyl-pyrrolidineN-(n-butyl)-pyrrolidineN-butyl-Tetrahydropyrrolepyrrolidine, 1-n-butyl-

Database identifiers

CAS
767-10-2
PubChem CID
69843
DTXSID
DTXSID20227494
UNII
IL9P094Z6J
EC Number
212-179-4
Nikkaji
J2.111C

Properties

Computed structural properties

XLogP
2
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
65

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
155 · 155-157 °C/754 mmHg (lit.)
Density
0.814 g/mL · 0.814 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.44(lit.)
Flash point
97 °F · 97 °F
storage temp.
Refrigerator, Under inert atmosphere
solubility
Chloroform (Sparingly), Ethyl Acetate (Slightly)
pka
10.62 · 10.62±0.20(Predicted)
form
Oil
color
Colourless
InChI
InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3
InChIKey
JSHASCFKOSDFHY-UHFFFAOYSA-N
SMILES
N1(CCCC)CCCC1
LogP
2.209 · 2.209 (est)
CAS DataBase Reference
767 · 767-10-2(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
9 P094Z6J · IL9P094Z6J
NIST Chemistry Reference
1 · 1-Butylpyrrolidine(767-10-2)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS06
Signal word
Danger
Hazard statements
226 · H226-H301+H311
Precautionary statements
210 · P210-P233-P240-P280-P301+P310-P303+P361+P353
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
T
Risk Statements
10 · 10-24/25
Safety Statements
16 · 16-36/37-45
RIDADR
2929 · UN 2929 6.1/PG 2
WGK Germany
2 · 2
RTECS
9800000 · UX9800000
HazardClass
3.2 · 3.2
PackingGroup
III
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 OralFlam. Liq. 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P301+P316, P302+P352, P303+P361+P353, P316, P321, P330, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
rtecs
UX9800000
ridadr
UN 2929 6.1/PG 2
risk_code
10-24/25
Signal word
Danger
Symbol(GHS)
GHS02,GHS06
hazard_code
T
safety_code
16-36/37-45
hazard_class
3.2
Storage Class
3 - Flammable liquids
packing_group
III
Hazard statements
H226-H301+H311
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 OralFlam. Liq. 3
Precautionary statements
P210-P233-P240-P280-P301+P310-P303+P361+P353

Chemistry & industry

Applications · 2 items

Uses1-Butylpyrrolidine can be used in the composition for alcohol recovery solution.

Uses1-Butylpyrrolidine has been used in:microwave-assisted synthesis of ionic liquid precursor, 1-butyl-1-methylpyrrolidinium methylcarbonate.[N,N-methylbutylpyrrolidinium] thiosalicylate, ionic liquid.The reaction of 1-butylpyrrolidine with dimethyl carbonate to yield the ionic liquid precursor, 1-butyl-1-methylpyrrolidinium methylcarbonate, has been investigated under microwave heating conditions and the reaction parameters optimised to achieve 100% yield of the pyrrolidinium salt with no by-products in under 1h.

Preparation methods · 1 item

PreparationThe synthesis of 1-butylpyrrolidine and its derivatives (1-butylpyrrolidine with a little of 1-butenylpyrrolidines) was developed via a one-pot method from ammonia and 1,4-butandiol. Here, the product of 1-butylpyrrolidine was emphatically investigated, and the yield was 76% under the optimized conditions. Such a route was realized through successive N-alkylation using aqueous ammonia as the nitrogen source over the CuNiPd/ZSM-5 catalyst, which was prepared by a simple incipient wetness method. In this route, 1,4-butandiol not only participated in the formation of the N-heterocycle, but also acted as an alkylating reagent. This work offers a straightforward, economical route for 1-butylpyrrolidine and its derivatives.One-pot synthesis of 1-butylpyrrolidine and its derivatives from aqueous ammonia and 1,4-butandiol over CuNiPd/ZSM-5 catalysts

Upstream & downstream products

Upstream raw materials

1-Pyrrolizino-1-butanone4-hydroxy-1-(1-pyrrolidinyl)-1-Butanone1-butylpyrrole1-(3-BUTENYL)PYRROLIDINEPyrrolidine, 1-(1-oxo-2-butenyl)-4-(N-BUTYLAMINO)-1-BUTANOL4-PYRROLIDIN-1-YL-BUTAN-1-OL1-Butylpyrrolidin-2-oneN-Methylpiperidine1-Butanol1,4-ButanediolButyraldehyde1-Bromobutane

Downstream products

Pyrrolidine, 1-propyl-Ethyl 4-(butylamino)benzoate

Suppliers82 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
JiangXi Bobert Imp&Exp Co.,LTD18071643627 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
越林试剂021-62960152 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海雷鸣医药科技有限公司13761371720 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海枫克生物科技有限公司15821337685 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司18916372613 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
BOC Sciences[email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]

Related reactions

4 records
New reaction record
HRID 379189 reaction equation
HRID 379189As reactantuspto-grants-2001_10
HRID 548492 reaction equation
HRID 548492As reactantuspto-grants-2011_05
HRID 1165540 reaction equation
HRID 1165540As productuspto-grants-1990_03
HRID 2173691 reaction equation
HRID 2173691As reactantuspto-grants-2015_06

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes