(2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid

Base Information

Chemical Name:(2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid
CAS No.:124083-22-3
Molecular Formula:C15H19ClO4
Molecular Weight:298.766
Hs Code.:
DSSTox Substance ID:DTXSID501190974
Wikidata:Q27166536
Mol file:124083-22-3.mol

Synonyms:124083-22-3;(2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid;(2S)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid;(S)-2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid;CHEBI:94746;DTXSID501190974;Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, (S)-;BRD-K77625572-323-01-1;Q27166536

Suppliers and Price of (2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid

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

Total 4 raw suppliers

Chemical Property of (2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:298.0971868
Heavy Atom Count:20
Complexity:315

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)O
Isomeric SMILES:C1[C@@](O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)O

Technology Process of (2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid

There total 5 articles about (2S)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid 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: 80.0%

: 124083-23-4
{(R)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxiranyl}-methanol

: 124083-22-3
(S)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxirane-2-carboxylic acid

Guidance literature:: With sodium periodate; ruthenium trichloride;
DOI:10.1016/S0040-4039(01)80643-2

Reference yield:

: 82258-37-5
ethyl 2-[6-(p-chlorophenoxy)hexyl]acrylate

: 124083-22-3
(S)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxirane-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: aluminium trihydride / diethyl ether

2: 49 percent / t-butylhydroperoxide, titanium isopropoxide, diethyl D-(-)-tartrate / -20 deg C, 3 h. then room temp., 1 h.

3: 80 percent / NaIO₄ / RuCl₃

With aluminium hydride; titanium(IV) isopropylate; tert.-butylhydroperoxide; sodium periodate; diethyl (2S,3S)-tartrate; ruthenium trichloride; In diethyl ether;
DOI:10.1016/S0040-4039(01)80643-2

Reference yield:

: 124083-17-6
8-(4-Chloro-phenoxy)-2-methylene-octanoic acid

: 124083-22-3
(S)-2-[6-(4-Chloro-phenoxy)-hexyl]-oxirane-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 63 percent / SOCl₂ / 18 h / from 0 deg C to room temp.

2: 60 percent / NaBH₄-silica / diethyl ether / 18 h / Ambient temperature

3: 49 percent / t-butylhydroperoxide, titanium isopropoxide, diethyl D-(-)-tartrate / -20 deg C, 3 h. then room temp., 1 h.

4: 80 percent / NaIO₄ / RuCl₃

With titanium(IV) isopropylate; tert.-butylhydroperoxide; sodium tetrahydroborate; sodium periodate; thionyl chloride; diethyl (2S,3S)-tartrate; silica gel; ruthenium trichloride; In diethyl ether;
DOI:10.1016/S0040-4039(01)80643-2