(2S)-1-Chloroheptan-2-OL

Base Information

• Chemical Name: (2S)-1-Chloroheptan-2-OL
• CAS No.: 81007-64-9
• Molecular Formula: C7H15ClO
• Molecular Weight: 150.649
• Hs Code.: 2906190090
• DSSTox Substance ID: DTXSID20508578
• Nikkaji Number: J463.010F
• Wikidata: Q82365627
• Mol file: 81007-64-9.mol

Synonyms:81007-64-9;(2S)-1-CHLOROHEPTAN-2-OL;(S)-1-Chloroheptan-2-ol;2-Heptanol, 1-chloro-, (2S)-;SCHEMBL5606059;DTXSID20508578

Chemical Property of (2S)-1-Chloroheptan-2-OL

Chemical Property:

• PSA: 20.23000
• LogP: 2.16640
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 150.0811428
• Heavy Atom Count: 9
• Complexity: 56.9

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-CHLOROHEPTAN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCl)O
• Isomeric SMILES: CCCCC[C@@H](CCl)O

Technology Process of (2S)-1-Chloroheptan-2-OL

There total 5 articles about (2S)-1-Chloroheptan-2-OL 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: 95.0%

(S)-epichlorohydrin (67843-74-7,24969-06-0,13403-37-7) + n-Butyl chloride (109-69-3) → (S)-1-chloroheptane-2-ol (81007-64-9)

Guidance literature:

n-Butyl chloride; With iodine; magnesium; In tetrahydrofuran; at 80 ℃; for 1h; Inert atmosphere;

(S)-epichlorohydrin; With copper(l) cyanide; In tetrahydrofuran; at -78 - -20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03073

Reference yield: 92.0%

(S)-epichlorohydrin (67843-74-7,24969-06-0,13403-37-7) + butyl magnesium bromide (693-04-9) → (S)-1-chloroheptane-2-ol (81007-64-9)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at 0 - 20 ℃; for 10h;

DOI:10.1039/c9ob02124h

Reference yield: 60.0%

n-butyl magnesium bromide (693-03-8) + (S)-epichlorohydrin (67843-74-7,24969-06-0,13403-37-7) → (S)-1-chloroheptane-2-ol (81007-64-9)

Guidance literature:

With copper bromide dimethyl sulfide complex; In tetrahydrofuran; diethyl ether; at -30 ℃; for 5h;

DOI:10.1246/bcsj.65.631

upstream raw materials:

n-butyl magnesium bromide

(S)-epichlorohydrin

1-chloro-2-heptanone

butyl magnesium bromide

Downstream raw materials:

Heptan-2-ol

(-)-Heptan-2-ol

(S)-Dec-1-yn-5-ol