7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester

Base Information

Chemical Name:7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester
CAS No.:149466-67-1
Molecular Formula:C12H13NO4
Molecular Weight:235.24
Hs Code.:
DSSTox Substance ID:DTXSID50452656
Wikidata:Q72486499
Mol file:149466-67-1.mol

Synonyms:149466-67-1;Methyl 4-acetamido-2,3-dihydrobenzofuran-7-carboxylate;7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester;METHYL 4-ACETAMIDO-2,3-DIHYDRO-1-BENZOFURAN-7-CARBOXYLATE;SCHEMBL1435901;DTXSID50452656;YSESCRBYFIXFJX-UHFFFAOYSA-N;BCP34154;4-acetylamino-2,3-dihydro-benzofuran-7-carboxylic acid methyl ester;AC-31743;Methyl4-acetamido-2,3-dihydrobenzofuran-7-carboxylate;methyl 4-(acetylamino)-2,3-dihydro-1-benzofuran-7-carboxylate

Suppliers and Price of 7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl 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

Total 10 raw suppliers

Chemical Property of 7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester

Chemical Property:

Boiling Point:466.3±45.0 °C(Predicted)
PKA:14.10±0.20(Predicted)
PSA：68.12000
Density:1.302±0.06 g/cm3(Predicted)
LogP:2.01600
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:235.08445790
Heavy Atom Count:17
Complexity:318

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=C2CCOC2=C(C=C1)C(=O)OC

Technology Process of 7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl ester

There total 6 articles about 7-Benzofurancarboxylic acid, 4-(acetylamino)-2,3-dihydro-, methyl 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: 86.7%

: 202664-85-5
methyl 4-acetylamino-2-hydroxy-3-(2-hydroxyethyl)benzoate

: 149466-67-1
methyl 4-acetylamino-2,3-dihydrobenzo[b]furan-7-carboxylate

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 - 25 ℃; for 1h;
DOI:10.1248/cpb.46.42

Reference yield:

: 4093-28-1
methyl 4-acetamido-2-hydroxybenzoate

: 149466-67-1
methyl 4-acetylamino-2,3-dihydrobenzo[b]furan-7-carboxylate

Guidance literature:: Multi-step reaction with 6 steps

1: 95.5 percent / K₂CO₃, tetra-n-butylammonium chloride / acetonitrile / 22 h / Heating

2: 94.9 percent / N-methylpyrrolidone / 1.5 h / Heating

3: OsO₄ / diethyl ether; H₂O / 0.17 h / 20 - 25 °C

4: NaIO₄ / diethyl ether; H₂O / 12 h / 20 - 25 °C

5: NaBH₄ / methanol / 2 h / 20 - 25 °C

6: 86.7 percent / diethyl azodicarboxylate, Ph₃P / tetrahydrofuran / 1 h / 20 - 25 °C

With 1-methyl-pyrrolidin-2-one; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; tetrabutyl-ammonium chloride; potassium carbonate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; methanol; diethyl ether; water; acetonitrile;
DOI:10.1248/cpb.46.42

Reference yield:

: 91958-13-3
methyl 2-allyloxy-4-acetylaminobenzoate

: 149466-67-1
methyl 4-acetylamino-2,3-dihydrobenzo[b]furan-7-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: 94.9 percent / N-methylpyrrolidone / 1.5 h / Heating

2: OsO₄ / diethyl ether; H₂O / 0.17 h / 20 - 25 °C

3: NaIO₄ / diethyl ether; H₂O / 12 h / 20 - 25 °C

4: NaBH₄ / methanol / 2 h / 20 - 25 °C

5: 86.7 percent / diethyl azodicarboxylate, Ph₃P / tetrahydrofuran / 1 h / 20 - 25 °C

With 1-methyl-pyrrolidin-2-one; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; methanol; diethyl ether; water;
DOI:10.1248/cpb.46.42