trans-3-Chloroallyl alcohol

Base Information

• Chemical Name: trans-3-Chloroallyl alcohol
• CAS No.: 4643-06-5
• Molecular Formula: C3H5ClO
• Molecular Weight: 92.5251
• European Community (EC) Number: 862-281-3
• DSSTox Substance ID: DTXSID40892042
• Nikkaji Number: J353.538J,J51.040H
• Wikidata: Q27103987
• Metabolomics Workbench ID: 51904
• Mol file: 4643-06-5.mol

Synonyms:3-chloro-2-propen-1-ol;3-chloroallyl alcohol;3-chloroallyl alcohol, (E)-isomer;3-chloroallyl alcohol, (Z)-isomer

Chemical Property of trans-3-Chloroallyl alcohol

Chemical Property:

• Vapor Pressure: 5.29mmHg at 25°C
• Boiling Point: 126.7°Cat760mmHg
• Flash Point: 30.4°C
• Density: 1.148g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.0028925
• Heavy Atom Count: 5
• Complexity: 33.9

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=CCl)O
• Isomeric SMILES: C(/C=C/Cl)O

Technology Process of trans-3-Chloroallyl alcohol

There total 6 articles about trans-3-Chloroallyl alcohol 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: 91.0%

(E)-1,3-dichloro-prop-1-ene (10061-02-6) → (E)-3-chloroallyl alcohol (4643-06-5)

Guidance literature:

With sodium carbonate; In water; at 120 ℃; for 12h; Temperature; Reagent/catalyst;

Reference yield: 80.0%

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → (E)-3-chloroallyl alcohol (4643-06-5)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at -78 - 0 ℃; for 1.5h;

DOI:10.1002/1521-3773(20010202)40:3<603::AID-ANIE603>3.0.CO;2-O

Reference yield:

3-chloro-2-propyn-1-ol (38987-68-7) → (E)-3-chloroallyl alcohol (4643-06-5)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

upstream raw materials:

(E)-1,3-dichloro-prop-1-ene

3-chloro-2-propyn-1-ol

epichlorohydrin

diethyl ether

Downstream raw materials:

((1R,2R)-2-Chloro-cyclopropyl)-methanol

(E)-dec-2-en-4-yl-1-ol

Refernces

• 1、 Zheng, Wei,Yates, Scott R.,Papiernik, Sharon K.,Guo, Mingxin,Gan, Jianying. "Dechlorination of chloropicrin and 1,3-dichloropropene by hydrogen sulfide species: Redox and nucleophilic substitution reactions". . p. 2280 - 2287. Retrieved 2007/10/03.
• 2、 Paterson, Ian,Davies, Robert D. M.,Marquez, Rodolfo. "Total synthesis of the callipeltoside Aglycon". . p. 603 - 607. Retrieved 2007/10/03.