(S)-4-Chloro-1,3-butanediol

Base Information

Chemical Name:(S)-4-Chloro-1,3-butanediol
CAS No.:139013-68-6
Molecular Formula:C4H9ClO2
Molecular Weight:124.567
Hs Code.:
European Community (EC) Number:604-107-9
UNII:5PF8623675
DSSTox Substance ID:DTXSID001309306
Nikkaji Number:J890.506A
Mol file:139013-68-6.mol

Synonyms:(S)-4-Chloro-1,3-butanediol

Suppliers and Price of (S)-4-Chloro-1,3-butanediol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(3S)-4-CHLOROBUTANE-1,3-DIOL 95.00%
5MG
$ 497.44

Ambeed
(S)-4-Chlorobutane-1,3-diol 95%
1g
$ 398.00

Ambeed
(S)-4-Chlorobutane-1,3-diol 95%
250mg
$ 163.00

Ambeed
(S)-4-Chlorobutane-1,3-diol 95%
100mg
$ 75.00

Total 35 raw suppliers

Chemical Property of (S)-4-Chloro-1,3-butanediol

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Refractive Index:1.474
Boiling Point:270.23°C at 760 mmHg
PKA:13.61±0.20(Predicted)
Flash Point:117.231°C
PSA：40.46000
Density:1.229g/cm³
LogP:-0.03150
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:124.0291072
Heavy Atom Count:7
Complexity:40.7

Purity/Quality:: (3S)-4-CHLOROBUTANE-1,3-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CO)C(CCl)O
Isomeric SMILES:C(CO)[C@@H](CCl)O

Technology Process of (S)-4-Chloro-1,3-butanediol

There total 2 articles about (S)-4-Chloro-1,3-butanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 86728-93-0
methyl (S)-4-chloro-3-hydroxybutanoate

: 139013-68-6
(3S)-4-chloro-1,3-butanediol

Guidance literature:: methyl (S)-4-chloro-3-hydroxybutanoate; With sodium tetrahydroborate; In methanol; toluene; at 20 ℃; for 13h;

With hydrogenchloride; water; In methanol; toluene; at 10 ℃; Product distribution / selectivity;

Reference yield:

: 86728-85-0,87068-18-6,90866-33-4,10488-69-4
ethyl 4-chloro-3-hydroxybutanoate

: 139013-68-6
(3S)-4-chloro-1,3-butanediol

: 125605-10-9
(3R)-4-chloro-1,3-butanediol

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;
DOI:10.1002/jlac.199719970911