3-(2-Methoxy-2-oxoethyl)benzoic acid

Base Information

Chemical Name:3-(2-Methoxy-2-oxoethyl)benzoic acid
CAS No.:113496-14-3
Molecular Formula:C₁₀H₁₀O₄
Molecular Weight:194.187
Hs Code.:
European Community (EC) Number:820-536-6
DSSTox Substance ID:DTXSID301301575
Nikkaji Number:J937.623B
Mol file:113496-14-3.mol

Synonyms:3-(2-methoxy-2-oxoethyl)benzoic acid;113496-14-3;SCHEMBL479999;3-PROPIONYLOXYBENZOICACID;1-Methyl 3-carboxybenzeneacetate;DTXSID301301575;MFCD20640418;3-(2-methoxy-2-oxoethyl)benzoicacid;AKOS022644573;CS-0416190;D84483;EN300-156259;Z1262517061

Suppliers and Price of 3-(2-Methoxy-2-oxoethyl)benzoic acid

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
3-(2-Methoxy-2-oxoethyl)benzoicAcid
100mg
$ 285.00

Crysdot
3-(2-Methoxy-2-oxoethyl)benzoicacid 95+%
250mg
$ 371.00

Crysdot
3-(2-Methoxy-2-oxoethyl)benzoicacid 95+%
1g
$ 801.00

Alichem
3-(2-Methoxy-2-oxoethyl)benzoicacid
1g
$ 585.80

AK Scientific
3-(2-Methoxy-2-oxoethyl)benzoicacid
5g
$ 2332.00

AK Scientific
3-(2-Methoxy-2-oxoethyl)benzoicacid
1g
$ 870.00

AK Scientific
3-(2-Methoxy-2-oxoethyl)benzoicacid
250mg
$ 424.00

Total 5 raw suppliers

Chemical Property of 3-(2-Methoxy-2-oxoethyl)benzoic acid

Chemical Property:

Melting Point:92-93 °C
Boiling Point:152-153 °C(Press: 10 Torr)
PKA:4.07±0.10(Predicted)
Density:1.254±0.06 g/cm3(Predicted)
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.05790880
Heavy Atom Count:14
Complexity:224

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Methoxy-2-oxoethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC1=CC(=CC=C1)C(=O)O

Technology Process of 3-(2-Methoxy-2-oxoethyl)benzoic acid

There total 6 articles about 3-(2-Methoxy-2-oxoethyl)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: 89.0%

: 67-56-1
methanol

: 2084-13-1
3-carboxymethyl-benzoic acid

: 52787-20-9
3-methoxycarbonylphenylacetic acid methyl ester

: 113496-14-3
methyl 3-carboxyphenyl acetate

Guidance literature:: With thionyl chloride; at 25 - 27 ℃; for 9h;

Reference yield:

: 67-56-1
methanol

: 2084-13-1
3-carboxymethyl-benzoic acid

: 113496-14-3
methyl 3-carboxyphenyl acetate

Guidance literature:: With thionyl chloride; at 20 ℃;

Reference yield:

: 1878-67-7
3-Bromophenylacetic acid

: 113496-14-3
methyl 3-carboxyphenyl acetate

Guidance literature:: Multi-step reaction with 4 steps

1: sulfuric acid / 3 h / 60 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1-methyl-pyrrolidin-2-one / 8 h / 160 °C / Inert atmosphere

3: sodium hydroxide; water / ethanol / 75 °C

4: thionyl chloride / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; thionyl chloride; sulfuric acid; water; sodium hydroxide; In 1-methyl-pyrrolidin-2-one; ethanol;