(s)-(2-Amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol

Base Information

Chemical Name:(s)-(2-Amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol
CAS No.:189059-58-3
Molecular Formula:C15H16ClNO3
Molecular Weight:293.75
Hs Code.:
DSSTox Substance ID:DTXSID60474208
Nikkaji Number:J1.649.833E
Wikidata:Q82304053
Mol file:189059-58-3.mol

Synonyms:189059-58-3;(s)-(2-amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol;(S)-|A-(2-Amino-5-chlorophenyl)-2,3-dimethoxybenzenemethanol;(S)-(2-amino-5-chlorophenyl)-(2,3-dimethoxyphenyl)methanol;(S)-alpha-(2-Amino-5-chlorophenyl)-2,3-dimethoxybenzenemethanol;starbld0018865;SCHEMBL4679921;DTXSID60474208;CS-0449089

Suppliers and Price of (s)-(2-Amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol

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

TRC
(S)-α-(2-Amino-5-chlorophenyl)-2,3-dimethoxybenzenemethanol
25mg
$ 220.00

American Custom Chemicals Corporation
(S)-ALPHA-(2-AMINO-5-CHLOROPHENYL)-2,3-DIMETHOXYBENZENEMETHANOL 95.00%
5MG
$ 496.53

Total 1 raw suppliers

Chemical Property of (s)-(2-Amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol

Chemical Property:

PSA：64.71000
LogP:3.60230
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:293.0818711
Heavy Atom Count:20
Complexity:305

Purity/Quality:: (S)-α-(2-Amino-5-chlorophenyl)-2,3-dimethoxybenzenemethanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1OC)C(C2=C(C=CC(=C2)Cl)N)O
Isomeric SMILES:COC1=CC=CC(=C1OC)[C@H](C2=C(C=CC(=C2)Cl)N)O
Uses An intermediate of Lapaquistat acetate (L175500).

Technology Process of (s)-(2-Amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol

There total 6 articles about (s)-(2-Amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanol 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: 86.0%

: 177410-76-3
(S)-(-)-5-chloro-α-(2,3-dimethoxyphenyl)-2-pivaloylaminobenzyl alcohol

: 189059-58-3
(-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol

Guidance literature:: With sodium hydroxide; In ethanol; for 3h; Heating;
DOI:10.1248/cpb.50.59

Reference yield: 82.2%

: 152911-43-8
(2-amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanone

: 189059-58-3
(-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol

Guidance literature:: With [(S)-2,2'-bis[bis(4-dimethylamino-3,5-dimethylphenyl)phosphino]-1,1'-binaphthyl][(1S,2S)-1,2-diphenylethylenediamine]ruthenium(II); hydrogen; potassium hydroxide; In tetrahydrofuran; isopropyl alcohol; at 37 - 43 ℃; for 42.5h; under 6300.63 - 6450.65 Torr; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1021/op2001673

Reference yield:

: 152911-54-1
(+/-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol

: 189059-58-3
(-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol

Guidance literature:: Multi-step reaction with 4 steps

1: 93 percent / NaHCO₃; DMAP / ethyl acetate / 1 h / 20 °C

2: 86 percent / pyridine; DMAP / 1 h / 20 °C

3: 25 percent / Pseudomonas sp. S-13; H₂O / methanol; various solvent(s) / 24 h / 28 °C

4: 86 percent / NaOH / ethanol / 3 h / Heating

With pyridine; dmap; sodium hydroxide; Pseudomonas sp. S-13; water; sodium hydrogencarbonate; In methanol; ethanol; ethyl acetate;
DOI:10.1248/cpb.50.59