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4-Chloro-1,1-dimethoxybutane

4-Chloro-1,1-dimethoxybutane structure

CAS No:
29882-07-3
Formula:
C6H13ClO2
Chemical Name:
4-Chloro-1,1-dimethoxybutane
Synonyms:
Butane,4-chloro-1,1-dimethoxy-;Butyraldehyde,4-chloro-,dimethyl acetal;4-Chloro-1,1-dimethoxybutane;4-Chlorobutyraldehyde dimethyl acetal;4,4-Dimethoxybutyl chloride;1-Chloro-4,4-dimethoxybutane;4-Chlorobutanal dimethyl acetal
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless Liquid

4-Chloro-1,1-dimethoxybutane Basic Attributes

Molecular Weight：

152.62

Exact Mass：

152.62

EC Number：

249-924-8

DSSTox ID：

DTXSID30184004

HScode：

2942000000

Characteristics

PSA：

18.5

XLogP3：

1.4

Appearance：

colorless liquid

Density：

1.14458 g/cm³ @ Temp: 20 °C

Boiling Point：

88-91 °C @ Press: 8 Torr

Flash Point：

43°C(lit.)

Refractive Index：

1.416

Vapor Pressure：

2.15mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1993

hazard class code：

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P235, P501

Hazard Statements：

H226

RIDADR：

UN 1993

GHS Classification：

|Danger|H226 (66.67%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-1,1-dimethoxybutane Use and Manufacturing

Preparation of 4-chlorobutyraldehyde dimethyl acetal: A solution of 72 grams (0.49 mole) of 4-chloro-1-acetoxy-1-butene in 300 ml of anhydrous methanol (240 grams, 7.5 moles) was treated with 15 grams of amberlyst 15 acidic ion-exchange resin catalyst and stirred under reflux overnight, at which time GC analysis indicted complete conversion of the E and Z isomers of 4-chloro-1-acetoxy-1-butene to a single, higher-boiling product accompanied by several minor impurities.The reaction mixture was filtered to recover the catalyst and the filtrate was treated with 5 grams of solid sodium bicarbonate.Excess methanol was recovered by distillation under reduced pressure to a volume of ca. 70 ml.The liquid was decanted from the undissolved sodium bicarbonate and subjected to distillation through a 6' Vigreaux column at 25 mm Hg. Preparation of 4-chlorobutyraldehyde dimethyl acetal: A solution of 72 grams (0.49 mole) of 4-chloro-1-acetoxy-1-butene in 300 ml of anhydrous methanol (240 grams, 7.5 moles) was treated with 15 grams of amberlyst 15 acidic ion-exchange resin catalyst and stirred under reflux overnight, at which time GC analysis indicted complete conversion of the E and Z isomers of 4-chloro-1-acetoxy-1-butene to a single, higher-boiling product accompanied by several minor impurities.The reaction mixture was filtered to recover the catalyst and the filtrate was treated with 5 grams of solid sodium bicarbonate.Excess methanol was recovered by distillation under reduced pressure to a volume of ca. 70 ml.The liquid was decanted from the undissolved sodium bicarbonate and subjected to distillation through a 6' Vigreaux column at 25 mm Hg. There was obtained 55.0 grams (74.4percent of theory) of colorless product boiling at 83-85° C. NMR analysis confirmed that the distillate was pure 4-chlorobutyraldehyde dimethyl acetal.

Computed Properties

Molecular Weight:152.62
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:152.0604073
Monoisotopic Mass:152.0604073
Topological Polar Surface Area:18.5
Heavy Atom Count:9
Complexity:55
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

763101-16-2

Recommended Suppliers of 4-Chloro-1,1-dimethoxybutane

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

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4-Chlorobutanal dimethyl acetal

CAS No.: 29882-07-3

Grade: industrial Grade

Content: 98%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

4-Chlorobutanal dimethyl acetal

CAS No.: 29882-07-3

Content: 99.00%

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Guide of 4-Chloro-1,1-dimethoxybutane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Synthesis Route
Recommended Suppliers
Latest News
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4-Chloro-1,1-dimethoxybutane

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