Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester

Base Information

Chemical Name:Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester
CAS No.:813466-07-8
Molecular Formula:C10H10ClIO2
Molecular Weight:324.546
Hs Code.:
DSSTox Substance ID:DTXSID10470977
Wikidata:Q82299346

Synonyms:Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester;813466-07-8;SCHEMBL14097398;DTXSID10470977

Suppliers and Price of Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester

Supply Marketing:

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

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Chemical Property of Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:323.94140
Heavy Atom Count:14
Complexity:191

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)I)OC(=O)CCl
Isomeric SMILES:C[C@@H](C1=CC=C(C=C1)I)OC(=O)CCl

Technology Process of Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester

There total 7 articles about Acetic acid, chloro-, (1S)-1-(4-iodophenyl)ethyl ester 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: 79.0%

: 79-11-8
chloroacetic acid

: 220089-24-7
(R)-(+)-1-(4-iodophenyl)ethanol

: 813466-07-8
(S)-1-(4-iodophenyl)ethyl chloroacetate

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at -78 - 0 ℃;
DOI:10.1007/s00706-004-0242-2

Reference yield: 43.0%

: 813466-04-5
(+/-)-1-(4-iodophenyl)ethyl chloroacetate

: 220089-24-7
(R)-(+)-1-(4-iodophenyl)ethanol

: 813466-07-8
(S)-1-(4-iodophenyl)ethyl chloroacetate

Guidance literature:: Lipase SAM II; In sodium hydroxide; phosphate buffer; at 20 ℃; for 16.6h; pH=7.0; Enzymatic reaction;
DOI:10.1007/s00706-004-0242-2

Reference yield:

: 68120-56-9,104013-25-4,53207-29-7
1-(4-iodophenyl)ethanol

: 813466-07-8
(S)-1-(4-iodophenyl)ethyl chloroacetate

Guidance literature:: Multi-step reaction with 4 steps

1: 93 percent / pyridine / 1 h / 50 °C

2: lipase SAM II / aq. phosphate buffer; aq. NaOH; various solvent(s) / 72 h / 20 °C / pH 7.0 / Enzymatic reaction

3: MeONa / methanol / 1 h

4: 79 percent / PPh₃; DEAD / tetrahydrofuran / -78 - 0 °C

With sodium methylate; triphenylphosphine; diethylazodicarboxylate; Lipase SAM II; In tetrahydrofuran; pyridine; methanol; sodium hydroxide; phosphate buffer; 4: Mitsunobu reaction;
DOI:10.1007/s00706-004-0242-2