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Diethyl 1,1-cyclobutanedicarboxylate

Diethyl 1,1-cyclobutanedicarboxylate structure

CAS No:
3779-29-1
Formula:
C10H16O4
Chemical Name:
Diethyl 1,1-cyclobutanedicarboxylate
Synonyms:
1,1-Cyclobutanedicarboxylic acid,1,1-diethyl ester;1,1-Cyclobutanedicarboxylic acid,diethyl ester;Diethyl 1,1-cyclobutanedicarboxylate;NSC 9017;1,1-Diethyl cyclobutane-1,1-dicarboxylate
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

Colourless Oil

Diethyl 1,1-cyclobutanedicarboxylate Basic Attributes

Molecular Weight：

200.23

Exact Mass：

200.23

EC Number：

223-239-4

UNII：

S7BAH6Z7AN

NSC Number：

9017

DSSTox ID：

DTXSID2063189

HScode：

2917209090

Characteristics

PSA：

52.6

XLogP3：

1.8

Density：

1.0350 g/cm³ @ Temp: 420 °C

Boiling Point：

224 °C

Flash Point：

99.8±18.2 °C

Refractive Index：

1.470

Water Solubility：

Insoluble in water.

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S23-S24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diethyl 1,1-cyclobutanedicarboxylate Use and Manufacturing

Methods of Manufacturing

General procedure: Diethyl malonate 2.53 mL (17 mmol), iodomethane or 1, 2-dibromoethane or 1, 3-dibromoethane(22 mmol), K2CO3 5.7 g (42 mmol) and tetrabutylammonium bromide 0.27 g (0.08 mmol) were addedin DMF. The mixture is stirred for 16 h at room temperature. After evaporation of solvent, the residuewas extracted with ethyl acetate 100 mL three times, and the organic layer was washed with water.After the concentration of the solvent, colorless oil diethyl cyclopropane-1, 1-dicarboxylatederivativeswere obtained (yield 89percent).General procedure: Diethyl malonate 2.53 mL (17 mmol), iodomethane or 1, 2-dibromoethane or 1, 3-dibromoethane(22 mmol), K2CO3 5.7 g (42 mmol) and tetrabutylammonium bromide 0.27 g (0.08 mmol) were addedin DMF. The mixture is stirred for 16 h at room temperature. After evaporation of solvent, the residuewas extracted with ethyl acetate 100 mL three times, and the organic layer was washed with water.After the concentration of the solvent, colorless oil diethyl cyclopropane-1, 1-dicarboxylatederivativeswere obtained (yield 89%).

Uses

Intermediate in the production of Carboplatin

Manufacturing Info：

1,1-Cyclobutanedicarboxylic acid, 1,1-diethyl ester: ACTIVE

Computed Properties

Molecular Weight:200.23
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:200.10485899
Monoisotopic Mass:200.10485899
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Diethyl 1,1-cyclobutanedicarboxylate

Hangzhou Zentra Bio-Chemical Co., Ltd. Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic Acid

Diethyl Cyclobutane-1,1-Dicarboxylate 3779-29-1

CAS No.: 3779-29-1

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed Certified factory

Manufactory Supplier of Dyes,Textile agent,Medical intermediate,API,Pigments,Basic Chemicals

Diethyl 1,1-cyclobutanedicarboxylate

CAS No.: 3779-29-1

Grade: pharmaceutical grade

Content: 98%

Inquiry

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Guide of Diethyl 1,1-cyclobutanedicarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Diethyl 1,1-cyclobutanedicarboxylate

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