2-[2-(3-methoxyphenyl)ethyl]benzoic Acid

Base Information

Chemical Name:2-[2-(3-methoxyphenyl)ethyl]benzoic Acid
CAS No.:17910-71-3
Molecular Formula:C16H16O3
Molecular Weight:256.301
Hs Code.:
DSSTox Substance ID:DTXSID80440425
Wikidata:Q82256728
Mol file:17910-71-3.mol

Synonyms:2-[2-(3-methoxyphenyl)ethyl]benzoic Acid;17910-71-3;2-(3-Methoxyphenethyl)benzoic acid;SCHEMBL4674534;DTXSID80440425;GYAQJSPEJNXRQE-UHFFFAOYSA-N;2-(3-Methoxyphenethyl)benzoicacid;AKOS015851507;BB 0253685;2-[2-(3-methoxy-phenyl)-ethyl]-benzoic Acid

Suppliers and Price of 2-[2-(3-methoxyphenyl)ethyl]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

Matrix Scientific
2-[2-(3-Methoxyphenyl)ethyl]benzoic acid
500mg
$ 184.00

American Custom Chemicals Corporation
2-[2-(3-METHOXYPHENYL)ETHYL]BENZOIC ACID 95.00%
500MG
$ 779.63

Total 4 raw suppliers

Chemical Property of 2-[2-(3-methoxyphenyl)ethyl]benzoic Acid

Chemical Property:

Melting Point:116.8-119 °C
Boiling Point:396.4±22.0 °C(Predicted)
PKA:4.10±0.36(Predicted)
PSA：46.53000
Density:1.167±0.06 g/cm3(Predicted)
LogP:3.17860
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:256.109944368
Heavy Atom Count:19
Complexity:290

Purity/Quality:

98%min ^*data from raw suppliers

2-[2-(3-Methoxyphenyl)ethyl]benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)CCC2=CC=CC=C2C(=O)O

Technology Process of 2-[2-(3-methoxyphenyl)ethyl]benzoic Acid

There total 16 articles about 2-[2-(3-methoxyphenyl)ethyl]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%

: 81428-84-4
trans-3'-methoxystilbene-2-carboxylic acid

: 17910-71-3
2-<2-(3-methoxyphenyl)ethyl>benzoic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 1.5h;
DOI:10.1248/cpb.46.1157

Reference yield: 81.0%

: 17910-70-2
(3-methoxybenzal)phthalide

: 17910-71-3
2-<2-(3-methoxyphenyl)ethyl>benzoic acid

Guidance literature:: With TEA; hydrogen; W-2 Raney Ni; In tetrahydrofuran; at 50 ℃; for 30h; under 2942.03 Torr;
DOI:10.1021/jo00105a010

Reference yield:

: 85-44-9
phthalic anhydride

: 17910-71-3
2-<2-(3-methoxyphenyl)ethyl>benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / CH₃COONa / 6 h / 230 - 245 °C

2: 81 percent / H₂, TEA / W-2 Raney Ni / tetrahydrofuran / 30 h / 50 °C / 2942.03 Torr

With TEA; hydrogen; sodium acetate; W-2 Raney Ni; In tetrahydrofuran;
DOI:10.1021/jo00105a010