2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester

Base Information

• Chemical Name: 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester
• CAS No.: 94405-64-8
• Molecular Formula: C₃₈H₄₇Cl₃N₄O₉
• Molecular Weight: 810.172

Synonyms:

Chemical Property of 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester

There total 5 articles about 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) 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: 32.0%

(E)-4-Methoxy-1,5,9-triaza-cyclotridec-4-ene-1,9-dicarboxylic acid 1-tert-butyl ester 9-(2,2,2-trichloro-ethyl) ester (84877-90-7) + (2S,3S)-5-(1-Amino-2-methoxycarbonyl-ethyl)-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-3-carboxylic acid methyl ester (94405-63-7,94405-70-6) → 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester (94405-64-8,94426-41-2)

Guidance literature:

In chlorobenzene; at 132 ℃; for 9h;

DOI:10.1021/ja00288a050

Reference yield:

methyl 4-hydroxycinnamate (3943-97-3) → 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester (94405-64-8,94426-41-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 57 percent / potassium ferricyanide/Na₂CO₃ / H₂O; CHCl₃

2: 74 percent / acetone / 25 °C

3: NaN₃/ICl / acetonitrile / 0 °C

4: tributyltin hydride / benzene / 20 h / 25 °C

5: 32 percent / chlorobenzene / 9 h / 132 °C

With sodium azide; tri-n-butyl-tin hydride; Iodine monochloride; sodium carbonate; potassium hexacyanoferrate(III); In chloroform; water; chlorobenzene; acetone; acetonitrile; benzene;

DOI:10.1021/ja00288a050

Reference yield:

(±)-methyl trans-(E)-2-(4-hydroxyphenyl)-5-(-3-methoxy-3-oxoprop-1-en-1-yl)-2,3-dihydrobenzofuran-3-carboxylate (25533-65-7,86363-01-1,94481-30-8) → 2-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-4-oxo-3,4,6,7,9,10,11,12,14,15-decahydro-2H,5H-1,4a,8,13-tetraaza-benzocyclotridecene-8,13-dicarboxylic acid 13-tert-butyl ester 8-(2,2,2-trichloro-ethyl) ester (94405-64-8,94426-41-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 74 percent / acetone / 25 °C

2: NaN₃/ICl / acetonitrile / 0 °C

3: tributyltin hydride / benzene / 20 h / 25 °C

4: 32 percent / chlorobenzene / 9 h / 132 °C

With sodium azide; tri-n-butyl-tin hydride; Iodine monochloride; In chlorobenzene; acetone; acetonitrile; benzene;

DOI:10.1021/ja00288a050

upstream raw materials:

(E)-4-Methoxy-1,5,9-triaza-cyclotridec-4-ene-1,9-dicarboxylic acid 1-tert-butyl ester 9-(2,2,2-trichloro-ethyl) ester

(2S,3S)-5-(1-Amino-2-methoxycarbonyl-ethyl)-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-3-carboxylic acid methyl ester

methyl 4-hydroxycinnamate

(±)-methyl trans-(E)-2-(4-hydroxyphenyl)-5-(-3-methoxy-3-oxoprop-1-en-1-yl)-2,3-dihydrobenzofuran-3-carboxylate

Downstream raw materials:

6-[(2S,3S)-3-Methoxycarbonyl-2-(4-methoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-8-oxo-1,5,9,13-tetraaza-cycloheptadecane-1,13-dicarboxylic acid 1-tert-butyl ester 13-(2,2,2-trichloro-ethyl) ester

(+/-)-O-methylorantine

C₃₄H₄₆N₄O₆

6-[(2S,3S)-2-(4-Methoxy-phenyl)-3-pentafluorophenyloxycarbonyl-2,3-dihydro-benzofuran-5-yl]-8-oxo-1,5,9,13-tetraaza-cycloheptadecane-1,13-dicarboxylic acid 1-tert-butyl ester 13-(2,2,2-trichloro-ethyl) ester

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