Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-methyl ester

Base Information

Chemical Name:Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-methyl ester
CAS No.:1205538-23-3
Molecular Formula:C34H37N3O11
Molecular Weight:663.67108
Hs Code.:
Mol file:1205538-23-3.mol

Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-methyl ester

Synonyms:IQYFRRLUZSIOTL-DEOSSOPVSA-N;Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)aMino]-3-ethylphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester

Suppliers and Price of Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-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

American Custom Chemicals Corporation
2-[4-[[(2S)-2-(ACETYLAMINO)-3-[4-[(CARBOXYCARBONYL)BENZOIC ACID 95.00%
5MG
$ 503.11

Total 2 raw suppliers

Chemical Property of Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-methyl ester

Chemical Property:

PSA：215.85000
LogP:4.89190

Purity/Quality:

99% ^*data from raw suppliers

2-[4-[[(2S)-2-(ACETYLAMINO)-3-[4-[(CARBOXYCARBONYL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-methyl ester

There total 12 articles about Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-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: 85.0%

: 436864-60-7
methyl 2-[(5-{[2-(acetylamino)-3-(4-{2-[(benzhydryloxy)carbonyl][(benzyloxy)(oxo)acetyl]anilino}-3-ethylphenyl)propanoyl]amino}pentyl)oxy]-6-hydroxybenzoate

: 1205538-23-3
methyl 2-{4-[(N-acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenylalanyl)amino]butoxy}-6-hydroxybenzoate

Guidance literature:: With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; under 760 Torr;
DOI:10.1021/jm034088d

Reference yield:

: 2150-45-0
methyl 2,6-dihydroxybenzoate

: 1205538-23-3
methyl 2-{4-[(N-acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenylalanyl)amino]butoxy}-6-hydroxybenzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 57 percent / triphenylphosphine; diethyl azodicarboxylate / tetrahydrofuran / 0.5 h / 20 °C

2: 97 percent / HCl / dioxane / 4 h / 20 °C

3: 59 percent / 2-(1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium BF₄; diisopropylethylamine / dimethylformamide / 20 °C

4: 85 percent / Pd/C; H₂ / methanol / 20 °C / 760 Torr

With hydrogenchloride; palladium on activated charcoal; hydrogen; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane; methanol; N,N-dimethyl-formamide; 1: Mitsunobu reaction;
DOI:10.1021/jm034088d

Reference yield:

: 402924-97-4
2-acetylamino-3-(4-amino-3-ethyl-phenyl)-propionic acid

: 1205538-23-3
methyl 2-{4-[(N-acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-3-ethylphenylalanyl)amino]butoxy}-6-hydroxybenzoate

Guidance literature:: Multi-step reaction with 7 steps

1: 62 percent / Cs₂CO₃ / dimethylformamide / 3 h / 20 °C

2: copper(II) acetate / dimethylformamide / 6 h / 90 °C

3: 700 mg / N,N-diisopropylethylamine / dimethylformamide / 20 °C

4: 72 percent / acetone / 20 °C

5: 100 percent / Pd(Ph₃P)4; morpholine / CH₂Cl₂ / 2 h

6: 59 percent / 2-(1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium BF₄; diisopropylethylamine / dimethylformamide / 20 °C

7: 85 percent / Pd/C; H₂ / methanol / 20 °C / 760 Torr

With morpholine; palladium on activated charcoal; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; copper diacetate; caesium carbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm034088d