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

1,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranose

HCID 2723629
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4064-06-6
Standard SMILES
CC1(C)O[C@H]2[C@@H](O1)[C@@H](CO)O[C@@H]1OC(C)(C)O[C@@H]12
InChIKey
POORJMIIHXHXAV-SOYHJAILSA-N
Molecular formula
C12H20O6
Average molar mass
260.28 g/mol
Monoisotopic mass
260.12598835

Names & identifiers

Preferred name
1,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranose
IUPAC
[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
English name
1,2:3,4-Di-O-isopropylidene-D-galactopyranose
Molecular formula
C12H20O6
Molecular weight
260.28

Names & synonyms

4064-06-61,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranoseDTXSID601347764RefChem:1052459DTXCID001776498Diacetone-D-galactoseDiisopropylidenegalactose1,2:3,4-Di-O-isopropylidene-D-galactopyranoseMFCD000632251,2:3,4-DI-O-ISOPROPYLIDENE--D-GALACTOPYRANOSE1,2:3,4-Di-O-isopropylidene-|A-D-galactopyranose((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methanol
Show more names
1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose1,2:3,4-DI-O-ISOPROPYLIDENE-A-D-GALACTOPYRANOSENSC 897561,2:3,4-Di-O-isopropDIACETONE-ALPHA-D-GALdiisopropylidene-Gal-OH
AS-406551,2,3,4-di-O-Isopropylidene-D-galactopyranoseGalactopyranose, 1,2:3,4-di-o-isopropylidene-, d-((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-5H-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methanolDiisopropylidenegalactopyranoseGalactopyranose, 1,2:3,4-di-O-isopropylidene-, .alpha.-D-SCHEMBL277474.alpha.-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-

Properties

Computed structural properties

XLogP
0
Topological polar surface area
66.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
341

Physicochemical properties

Melting point
120 · 120-122 °C
Boiling point
117 °C/0.015 · 117 °C/0.015 mmHg (lit.)
alpha
-57.5 · -57.5 º (c=3, CHCl3)
Density
1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.466(lit.)
storage temp.
2 · Inert atmosphere,2-8°C
solubility
Soluble in Acetone, Chloroform and Methanol.
form
Viscous Paste
pka
14 · 14.00±0.10(Predicted)
color
Clear pale yellow to yellow
optical activity
25 · [α]25/D 59°, c = 3 in chloroform
BRN
1345410 · 1345410
InChI
InChI=1/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10-/s3
InChIKey
POORJMIIHXHXAV-DPMQDVBJNA-N
SMILES
[C@H]12OC(C)(C)O[C@H]1[C@H](O[C@@H]1OC(C)(C)O[C@H]21)CO |&1:0,6,7,9,15,r|

Safety & regulation

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

Safety data

F
3-9-21
PPE
Eyeshields, Gloves
wgk
3
hs_code
29400090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
24/25-36/37-26
Storage Class
10 - Combustible liquids
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

UsesDiacetone-D-galactose is used to produce diacetone-d-galacturonic acid and oxalic acid. It is mainly used in biochemical reaction and used as medicine intermediate.

Preparation methods · 1 item

PreparationIn a dry reaction flask, 16 mL of 36 M H₂SO₄ was added to 1600 mL of freshly distilled acetone, ensuring the reaction mixture was kept at 0 °C during the dropwise addition. The solution was then heated to room temperature and stirred for 10 minutes. D-galactose (20 g, 111 mmol) was added to the solution and the mixture was stirred vigorously for 18 hours. After the reaction was complete, the dark yellow solution was neutralized with anhydrous Na₂CO₃ and then filtered. Activated carbon and 20 g of Na₂CO₃ were added to the filtrate, and the mixture was heated to reflux. The mixture was filtered again, and the filtrate was concentrated to dryness using a rotary evaporator. The residue was purified by silica gel column chromatography to obtain the target product, 1,2:3,4-Di-O-isopropylidene-D-galactopyranose.

Upstream & downstream products

Upstream raw materials

Fuming sulfuric acidD-GalactoseAcetoneCopper(II) sulfatePetroleum etherCalcium hydroxide

Downstream products

Diacetonefructose1,2,3,4-Di-O-isopropylidene-alpha-D-galacturonic acid6-Amino-6-deoxy-1,2:3,4-di-O-isopropylidene-D-galactopyranoside

Related reactions

7 records
New reaction record
HRID 358130 reaction equation
HRID 358130As productuspto-grants-1984_08
HRID 542916 reaction equation
HRID 542916As productuspto-grants-1987_04
HRID 865620 reaction equation
HRID 865620As reactantuspto-grants-1996_10
HRID 1008119 reaction equation
HRID 1008119As reactantuspto-grants-2004_09
HRID 1734976 reaction equation
HRID 1734976As reactantuspto-grants-1996_07
HRID 1827005 reaction equation
HRID 1827005As reactantuspto-grants-2006_05
HRID 1871831 reaction equation
HRID 1871831As reactantuspto-grants-2000_08

Compound notes

Loading…

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

Database identifiers

CAS
4064-06-6
PubChem CID
2723629
DTXSID
DTXSID601347764
EC Number
223-771-7、927-991-0
Nikkaji
J104.944E
CAS DataBase Reference
4064 · 4064-06-6(CAS DataBase Reference)
NIST Chemistry Reference
1 · Galactopyranose, 1,2:3,4-di-o-isopropylidene-, d-(4064-06-6)
UNSPSC Code
12352201 · 12352201
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE
Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
24 · 24/25-36/37-26
WGK Germany
3 · 3
F
3 · 3-9-21
HS Code
29400090 · 29400090
Storage Class
10 · 10 - Combustible liquids

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
武汉远启医药化工有限公司18971192297 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
杭州璟皓生物科技有限公司(原河南辛迪加生物)17513242016 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [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]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
黄石昊德医药科技有限公司0714-0714-6352055 15897769779
凯试(上海)科技有限公司021-50135380 · [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]
湖北康恩化学有限公司180-64105258 18064105258
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖南汇百益新材料有限公司400-0909710 13319523173 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]