2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic acid

Base Information

Chemical Name:2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic acid
CAS No.:83794-87-0
Molecular Formula:C₁₅H₁₄O₃S
Molecular Weight:274.34
Hs Code.:
DSSTox Substance ID:DTXSID201215864

Synonyms:2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic acid;DTXSID201215864;83794-87-0

Suppliers and Price of 2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic acid

Supply Marketing:

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

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Chemical Property of 2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:274.06636548
Heavy Atom Count:19
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CSC2=CC=CC(=C2)CO)C(=O)O

Technology Process of 2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic acid

There total 7 articles about 2-[[[3-(Hydroxymethyl)phenyl]thio]methyl]benzoic 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: 78.4%

: 83794-89-2
3-(2-carboxymethylbenzylthio)benzyl alcohol

: 83794-87-0
2-(1-hydroxymethyl-3-thiophenylmethyl)benzoic acid

Guidance literature:: With hydrogenchloride; sodium hydroxide; In methanol; water; for 1h; Heating;

Reference yield: 27.0%

: 87-41-2
2-benzofuran-1(3H)-one

: 83794-86-9
3-mercaptobenzyl alcohol

: 83794-87-0
2-(1-hydroxymethyl-3-thiophenylmethyl)benzoic acid

Guidance literature:: With hydrogenchloride; potassium carbonate; In N,N-dimethyl-formamide; 1.) R_.T_., 5 min, 2.) 80 deg C, 2 h.;

Reference yield:

: 4025-64-3
3-Carboxybenzenesulfonyl chloride

: 83794-87-0
2-(1-hydroxymethyl-3-thiophenylmethyl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: lithium aluminum hydride / tetrahydrofuran / 1 h

2: dimethylformamide; H₂O / 0.33 h / Ambient temperature

3: 78.4 percent / sodium hydroxide; HCl / methanol; H₂O / 1 h / Heating

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;