3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,18,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester

Base Information

• Chemical Name: 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,18,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester
• CAS No.: 1268158-19-5
• Molecular Formula: C₄₁H₄₂N₂O₆S₄
• Molecular Weight: 787.058

Synonyms:

Chemical Property of 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,18,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,18,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester

There total 26 articles about 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,18,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid 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: 23.0%

3-((3-(3-formylbenzyloxy)-5-vinylbenzyl)disulfanyl)propanoate (1268158-18-4) + (E)-22-vinyl-2-oxa-10,11-dithia-17,18-diazatricyclo[18.3.1.1(4,8)]pentacosa-1(23),4,6,8(25),18,20(24),21-heptaen-16-one (1268158-16-2) → 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1(23),4,6,8(25),18,20(24),21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester (1268158-19-5)

Guidance literature:

With [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene][2-isopropoxy-5-(2,2,2-trifluoroacetamido)benzylidene]ruthenium(II) dichloride; In dichloromethane; at 100 ℃; for 3h; Inert atmosphere; Microwave irradiation;

DOI:10.1002/anie.201004779

Reference yield:

3-{3-[(2E,18E)-6-(3-formylbenzyloxy)-16-oxo-10,11-dithia-17,18-diazatricyclo[18.3.1.1(4,8)]pentacosa-1(24),2,4(25),5,7,18,20,22-octaen-22-yloxymethyl]benzyldisulfanyl}propionic acid methyl ester (1268158-28-6) → 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1(23),4,6,8(25),18,20(24),21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester (1268158-19-5)

Guidance literature:

With 1,4-dithio-D,L-threitol; dimethyl 3,3'-dithiodipropionate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In chloroform; at 20 ℃; for 24h; Darkness;

DOI:10.1002/anie.201004779

Reference yield:

methyl 5-ethynyl-3-hydroxybenzoate (1268158-07-1) → 3-{3-(3-formylbenzyloxy)-5-[(E)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1(23),4,6,8(25),18,20(24),21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester (1268158-19-5)

Guidance literature:

Multi-step reaction with 11 steps

1.1: quinoline; hydrogen / ethanol; hexane; dichloromethane / 2 h / 20 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 3 h / 0 - 20 °C / Inert atmosphere

3.2: 0 - 20 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C

5.1: N,N-dimethyl-formamide / 3 h / 20 °C

6.1: toluene-4-sulfonic acid / methanol / 1 h / 20 °C / Inert atmosphere

7.1: methanol; sodium methylate / 3 h / 20 °C / Inert atmosphere

8.1: iodine; sodium methylate; potassium iodide / dichloromethane / 0.08 h / 20 °C

8.2: 1 h / 20 °C

9.1: hydrogenchloride; water / methanol; dichloromethane / 1 h / 20 °C

10.1: acetyl chloride / 5 h / 0 - 20 °C

11.1: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene][2-isopropoxy-5-(2,2,2-trifluoroacetamido)benzylidene]ruthenium(II) dichloride / dichloromethane / 3 h / 100 °C / Inert atmosphere; Microwave irradiation

With quinoline; hydrogenchloride; methanol; lithium aluminium tetrahydride; [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene][2-isopropoxy-5-(2,2,2-trifluoroacetamido)benzylidene]ruthenium(II) dichloride; water; hydrogen; iodine; sodium methylate; sodium hydride; toluene-4-sulfonic acid; triethylamine; acetyl chloride; potassium iodide; In tetrahydrofuran; methanol; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1002/anie.201004779

upstream raw materials:

methyl 5-(acetylthio)pentanoate

5-mercaptopentanoic acid hydrazide

S-3-(3-formylbenzyloxy)-5-vinylbenzyl ethanethioate

(E)-S-3-((3-((2-(5-mercaptopentanoyl)hydrazono)methyl)-5-vinylphenoxy)methyl)benzyl ethanethioate

Downstream raw materials:

3-(3-{3-formyl-5-[(E)-2-((E)-12-oxo-2-oxa-17,18-dithia-10,11-diazatricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,9,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]phenoxymethyl}benzyldisulfanyl)propionic acid methyl ester

3-{3-[(2Z,18E)-6-(3-formylbenzyloxy)-16-oxo-10,11-dithia-17,18-diazatricyclo[18.3.1.1(4,8)]pentacosa-1⁽²⁴⁾,2,4⁽²⁵⁾,5,7,18,20,22-octaen-22-yloxymethyl]benzyldisulfanyl}propionic acid methyl ester

3-{3-(3-formylbenzyloxy)-5-[(Z)-2-((E)-16-oxo-2-oxa-10,11-dithia-17,18-diaza-tricyclo[18.3.1.1(4,8)]pentacosa-1⁽²³⁾,4,6,8⁽²⁵⁾,18,20⁽²⁴⁾,21-heptaen-22-yl)vinyl]benzyldisulfanyl}propionic acid methyl ester

3-{3-[(2E,18E)-6-(3-formylbenzyloxy)-16-oxo-10,11-dithia-17,18-diazatricyclo[18.3.1.1(4,8)]pentacosa-1⁽²⁴⁾,2,4⁽²⁵⁾,5,7,18,20,22-octaen-22-yloxymethyl]benzyldisulfanyl}propionic acid methyl ester

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