Basic information
- CAS
147081-49-0- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N)C1- InChIKey
CMIBWIAICVBURI-SSDOTTSWSA-N- Molecular formula
- C9H18N2O2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.13682782
Names & identifiers
- Preferred name
- (R)-(+)-1-Boc-3-aminopyrrolidine
- IUPAC
- tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
- English name
- (R)-(+)-1-Boc-3-aminopyrrolidine
- Molecular formula
- C9H18N2O2
- Molecular weight
- 186.25
Names & synonyms
(R)-(+)-1-Boc-3-aminopyrrolidine(r)-tert-butyl 3-aminopyrrolidine-1-carboxylateRefChem:406961604-556-0147081-49-0(r)-1-boc-3-aminopyrrolidinetert-butyl (3R)-3-aminopyrrolidine-1-carboxylate(R)-3-Amino-1-N-BOC-pyrrolidine(3R)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidineMFCD03419272(R)-(+)-N-Boc-3-aminopyrrolidine(r)-3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester
Show more names
(R)-(+)-1-Boc-3-aMin(R)-3-Amino-1-Boc-pyrroli...1-Boc-3-(R )-aminopyrrolidine(R)-3-AMINO-1-BOC-PYRROLIDINE(R)-3-AMINO-N-BOC-PYRROLIDINER-1-N-BOC-3-AMINO PYRROLIDINE
tert-butyl (3R)-3-aminopyrrolidinecarboxylate(R)-tert-butyl3-aminopyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-(R)-N-Boc-3-aminopyrrolidine(3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidinetert-butyl (R)-3-aminopyrrolidine-1-carboxylateR-N-boc-3-Amino PyrrolidineSCHEMBL241779
Database identifiers
- CAS
147081-49-0- PubChem CID
- 854070
- DTXSID
DTXSID00933026- EC Number
- 604-556-0
- Nikkaji
- J2.469.211F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 243 · 243-244°C
- Boiling point
- 243 · 243-244°C
- Density
- 1.098 · 1.098
- refractive index
- 1.472 · 1.4720
- Flash point
- 196 °F · 196°F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- Liquid
- pka
- 9.55 · 9.55±0.20(Predicted)
- color
- Clear pale yellow
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
- InChIKey
- CMIBWIAICVBURI-SSDOTTSWSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](N)C1
- CAS DataBase Reference
- 147081 · 147081-49-0(CAS DataBase Reference)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 280 · P280-P301+P310+P330-P305+P351+P338+P310
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,Xn
- Risk Statements
- 22 · 22-41-44
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29339900 · 29339900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (82.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (82.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29339900
- risk_code
- 22-41-44
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P280-P301+P310+P330-P305+P351+P338+P310
Chemistry & industry
Applications
Uses(R)-(+)-1-Boc-3-aminopyrrolidine may be used to prepare:Descarboxamide analog and Na-methylated analogs of 4-N-(Nω-nitro-L-argininyl)-trans-4-amino-L-proline amide.Histamine 3 (H3) receptor antagonists containing pyrrolidin-3-yl-N-methylbenzamide moiety.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
安庆奇创药业有限公司18061456370
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
海门慧聚药业有限公司0086-15189180296 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
苏州永健生物医药有限公司0512-69561956 18015581618
苏州岚云医药科技有限公司2332782371 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京爱莉生物科技有限公司025-83208295 18913388297 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
尚科生物医药（上海）有限公司021-68187180 13681683526 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
无锡中坤生化科技有限公司+86 0510-85629785
上海泽信化工科技有限公司021-60136491 15901897992
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海乐济生化科技有限公司+86-21-51762186 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
Related reactions
250 records
Compound notes
Loading…