2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester

Base Information

Chemical Name:2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester
CAS No.:287118-98-3
Molecular Formula:C16H14O5
Molecular Weight:286.284
Hs Code.:
DSSTox Substance ID:DTXSID60430849
ChEMBL ID:CHEMBL227595
Mol file:287118-98-3.mol

Synonyms:287118-98-3;2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER;[3-(hydroxymethyl)phenyl] 2-acetyloxybenzoate;3-(HYDROXYMETHYL)PHENYL 2-ACETOXYBENZOATE;3-(HYDROXYMETHYL)PHENYL 2-(ACETYLOXY)BENZOATE;CHEMBL227595;SCHEMBL2547980;DTXSID60430849;XYNPCXQRPQWCKP-UHFFFAOYSA-N;AKOS027447692;AB51480;FT-0661320;3-(HYDROXYMETHYL)PHENYL2-ACETOXYBENZOATE;J-017214

Suppliers and Price of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester

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
2-(Acetyloxy)benzoicAcid3-(hydroxymethyl)phenylEster
500mg
$ 1100.00

Medical Isotopes, Inc.
2-(Acetyloxy)benzoicAcid3-(hydroxymethyl)phenylEster
250 mg
$ 2000.00

Medical Isotopes, Inc.
2-(Acetyloxy)benzoicAcid3-(hydroxymethyl)phenylEster
50 mg
$ 875.00

Total 8 raw suppliers

Chemical Property of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester

Chemical Property:

Appearance/Colour:White Solid
Vapor Pressure:0mmHg at 25°C
Melting Point:77-79 °C
Refractive Index:1.59
Boiling Point:473.494 °C at 760 mmHg
PKA:14.05±0.10(Predicted)
Flash Point:176.601 °C
PSA：72.83000
Density:1.276 g/cm³
LogP:2.32340
Solubility.:Chloroform, Dichloromethane
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:286.08412354
Heavy Atom Count:21
Complexity:368

Purity/Quality:

98%min ^*data from raw suppliers

2-(Acetyloxy)benzoicAcid3-(hydroxymethyl)phenylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO
Uses Intermediate in the preparation of Nitroaspirin (NCX 4016)

Technology Process of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester

There total 5 articles about 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl 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: 91.0%

: 620-24-6
3-Hydroxybenzyl alcohol

: 5538-51-2
O-acetylsalicyloyl chloride

: 287118-98-3
NCX 4017

Guidance literature:: With potassium carbonate; In acetone; at 5 - 10 ℃; for 2h;

Reference yield: 78.0%

: 203065-55-8
2-(acetyloxy)benzoic acid 3-(formyl)phenyl ester

: 287118-98-3
NCX 4017

Guidance literature:: 2-(acetyloxy)benzoic acid 3-(formyl)phenyl ester; With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃; for 0.333333h;

With hydrogenchloride; In tetrahydrofuran; methanol; water;

Reference yield:

: 5538-51-2
O-acetylsalicyloyl chloride

: 287118-98-3
NCX 4017

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0 °C

2: NaBH₄ / tetrahydrofuran / 0 °C

With sodium tetrahydroborate; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm061371e