Benzyl 3-chloro-5-hydroxybenzoate

Base Information

Chemical Name:Benzyl 3-chloro-5-hydroxybenzoate
CAS No.:245116-17-0
Molecular Formula:C14H11 Cl O3
Molecular Weight:262.69
Hs Code.:2918290000
DSSTox Substance ID:DTXSID00592778
Wikidata:Q82487066
Mol file:245116-17-0.mol

Synonyms:245116-17-0;BENZYL 3-CHLORO-5-HYDROXYBENZOATE;3-CHLORO-5-HYDROXY-BENZOIC ACID BENZYL ESTER;3-chloro-5-hydroxybenzoic acid (phenylmethyl) ester;SCHEMBL6655185;DTXSID00592778;KZGIACZNLMRJJR-UHFFFAOYSA-N;Benzyl 3-chloro-5-liydroxybenzoate;benzyl 3-chloro-5-hydroxy-benzoate;MFCD04114329;AKOS024260408;AB18085;BENZYL3-CHLORO-5-HYDROXYBENZOATE;CS-0336242;A817347

Suppliers and Price of Benzyl 3-chloro-5-hydroxybenzoate

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

J&W Pharmlab
3-Chloro-5-hydroxy-benzoicacidbenzylester 95%
5g
$ 3998.00

J&W Pharmlab
3-Chloro-5-hydroxy-benzoicacidbenzylester 95%
500mg
$ 549.00

Crysdot
Benzyl3-chloro-5-hydroxybenzoate 97%
1g
$ 672.00

American Custom Chemicals Corporation
BENZYL-3-CHLORO-5-HYDROXY-BENZOATE 98.00%
5MG
$ 495.17

Alichem
Benzyl3-chloro-5-hydroxybenzoate
1g
$ 998.00

Total 10 raw suppliers

Chemical Property of Benzyl 3-chloro-5-hydroxybenzoate

Chemical Property:

Boiling Point:432.0±30.0 °C(Predicted)
PKA:8.16±0.10(Predicted)
PSA：46.53000
Density:1.323±0.06 g/cm3(Predicted)
LogP:3.40260
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:262.0396719
Heavy Atom Count:18
Complexity:276

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-hydroxy-benzoicacidbenzylester 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)Cl)O

Technology Process of Benzyl 3-chloro-5-hydroxybenzoate

There total 4 articles about Benzyl 3-chloro-5-hydroxybenzoate 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: 91.0%

: 245116-16-9
benzyl 3-chloro-5-(tert-butyldimethylsilyloxy)benzoate

: 245116-17-0
3-chloro-5-hydroxy-benzoic acid benzyl ester

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2004.05.002

Reference yield:

: 591-35-5
3,5-dichlorophenol

: 245116-17-0
3-chloro-5-hydroxy-benzoic acid benzyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / DMAP; DIEA / CH₂Cl₂

2: 64 percent / Mg / tetrahydrofuran / -78 °C

3: 96 percent / oxalyl chloride; DMF / CH₂Cl₂

4: 91 percent / TBAF / tetrahydrofuran

With dmap; oxalyl dichloride; tetrabutyl ammonium fluoride; magnesium; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1016/j.bmcl.2004.05.002

Reference yield:

: 126663-61-4
1-<(tert-butyldimethylsilyl)oxy>-3,5-dichlorobenzene

: 245116-17-0
3-chloro-5-hydroxy-benzoic acid benzyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / Mg / tetrahydrofuran / -78 °C

2: 96 percent / oxalyl chloride; DMF / CH₂Cl₂

3: 91 percent / TBAF / tetrahydrofuran

With oxalyl dichloride; tetrabutyl ammonium fluoride; magnesium; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1016/j.bmcl.2004.05.002