cis-3-Chloroallyl alcohol

Base Information

• Chemical Name: cis-3-Chloroallyl alcohol
• CAS No.: 4643-05-4
• Molecular Formula: C3H5ClO
• Molecular Weight: 92.5251
• Hs Code.: 2905590090
• NSC Number: 508744
• DSSTox Substance ID: DTXSID90860433
• Nikkaji Number: J353.537A
• Wikidata: Q27103994
• Metabolomics Workbench ID: 51906
• Mol file: 4643-05-4.mol

Synonyms:cis-3-Chloroallyl alcohol;cis-3-Chloro-2-propene-1-ol;(Z)-3-Chloroallyl alcohol;cis-3-chloroprop-2-en-1-ol;(2Z)-3-chloroprop-2-en-1-ol;cis-3-chloro-prop-2-en-1-ol;CHEBI:28967;(Z)-3-chloro-2-Propen-1-ol;DTXSID90860433;NSC508744;NSC-508744;2-propen-1-ol, 3-chloro-, (2Z)-;C06612;Q27103994

Chemical Property of cis-3-Chloroallyl alcohol

Chemical Property:

• Vapor Pressure: 5.29mmHg at 25°C
• Boiling Point: 126.7°C at 760 mmHg
• Flash Point: 30.4°C
• PSA: 20.23000
• Density: 1.148g/cm³
• LogP: 0.73120
• 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:

99%, ^*data from raw suppliers

(2E)-3-CHLOROPROP-2-EN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of cis-3-Chloroallyl alcohol

There total 3 articles about cis-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: 84.0%

ethyl (Z)-3-chloro-2-propenoate (16490-99-6) → (Z)-1-Chloro-1-propene-3-ol (4643-05-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 4h;

DOI:10.1016/j.tetlet.2004.07.130

Reference yield: 79.0%

cis-1,3-Dichloropropene (10061-01-5) → (Z)-1-Chloro-1-propene-3-ol (4643-05-4)

Guidance literature:

With potassium carbonate; In water; for 5h; Heating;

DOI:10.1134/S1070363217070325

Reference yield:

→ (Z)-1-Chloro-1-propene-3-ol (4643-05-4)

Guidance literature:

cis-1,3-Dichlor-propen, aq. Na2CO3;

upstream raw materials:

cis-1,3-Dichloropropene

ethyl (Z)-3-chloro-2-propenoate

Downstream raw materials:

propargyl alcohol

γ-Chlorallylalkohol

3-chloro-propenal

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 2006.
• 2、 Jagadeesh,Reddy, L. Manmohan,Nasjletti, Alberto,Falck. "A concise synthesis of 12(S),20-dihydroxyeicosa-5(Z),8(Z),10(E),14(Z)- tetraenoic acid, an endogenous vasoconstrictor". . p. 7111 - 7113. Retrieved 2007/10/03.