2-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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.: 84895-12-5
• Molecular Formula: C₃₈H₄₇Cl₃N₄O₉
• Molecular Weight: 810.172
• Mol file: 84895-12-5.mol

Synonyms:2-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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 of 2-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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: 6.0%

(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) + (Z)-3-{4-[5-(1-Amino-2-methoxycarbonyl-ethyl)-2-methoxy-phenoxy]-phenyl}-acrylic acid methyl ester (84877-91-8) → 2-{4-Methoxy-3-[4-((Z)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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 (84877-92-9) + 2-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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 (84895-12-5)

Guidance literature:

In chlorobenzene; at 115 ℃; for 9h;

DOI:10.1021/ja00344a071

Reference yield:

3-(4'-bromophenyl)-(Z)-propenoic acid methyl ester (84878-00-2) → 2-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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 (84895-12-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 61 percent / pyridine / Heating

2: 90 percent / BF₃*Et₂O / acetic acid; CH₂Cl₂ / 0 °C

3: 6 percent / chlorobenzene / 9 h / 115 °C

With boron trifluoride diethyl etherate; In pyridine; dichloromethane; acetic acid; chlorobenzene;

DOI:10.1021/ja00344a071

Reference yield:

4-bromophenylalanine-hydrochloride (108540-72-3,122839-59-2,122852-33-9) → 2-{4-Methoxy-3-[4-((E)-2-methoxycarbonyl-vinyl)-phenoxy]-phenyl}-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 (84895-12-5)

Guidance literature:

Multi-step reaction with 5 steps

1: HCl

3: 61 percent / pyridine / Heating

4: 90 percent / BF₃*Et₂O / acetic acid; CH₂Cl₂ / 0 °C

5: 6 percent / chlorobenzene / 9 h / 115 °C

With hydrogenchloride; boron trifluoride diethyl etherate; In pyridine; dichloromethane; acetic acid; chlorobenzene;

DOI:10.1021/ja00344a071

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

(Z)-3-{4-[5-(1-Amino-2-methoxycarbonyl-ethyl)-2-methoxy-phenoxy]-phenyl}-acrylic acid methyl ester

3-(4'-bromophenyl)-(Z)-propenoic acid methyl ester

4-bromophenylalanine-hydrochloride