6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6R)-

Base Information

• Chemical Name: 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6R)-
• CAS No.: 202592-24-3
• Molecular Formula: C19H17ClN4O2S
• Molecular Weight: 400.889
• Mol file: 202592-24-3.mol

Synonyms:6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6R)-

Chemical Property of 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6R)-

Chemical Property:

• Boiling Point: 661.6±65.0 °C(Predicted)
• PKA: 4.11±0.10(Predicted)
• PSA: 108.61000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 3.70980

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6R)-

There total 6 articles about 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6R)- 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: 87.97%

[(R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-1-thia-5,7,8,9a-tetraazacyclopenta[e]azulen-6-yl]acetic acid methyl ester → (R)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetic acid (202592-24-3,202592-23-2)

Guidance literature:

With methanol; water; lithium hydroxide; at 40 ℃; for 2h;

Reference yield: 85.0%

(-)-JQ1 (1268524-71-5) → (R)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetic acid (202592-24-3,202592-23-2)

Guidance literature:

With formic acid; at 23 ℃;

Reference yield:

methyl (3R)-3-[[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]carbamoyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]propanoate → (R)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetic acid (202592-24-3,202592-23-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: triethylamine / dichloromethane / 17 h / 40 °C

1.2: 2 h / 60 °C

2.1: tetraphosphorus decasulfide; sodium carbonate / toluene / 17 h / 110 °C

3.1: hydrazine hydrate / tetrahydrofuran / 1 h / 0 °C

3.2: 0.5 h / 0 °C

3.3: 4 h / 40 °C

4.1: lithium hydroxide; water; methanol / 2 h / 40 °C

With methanol; tetraphosphorus decasulfide; water; sodium carbonate; hydrazine hydrate; triethylamine; lithium hydroxide; In tetrahydrofuran; dichloromethane; toluene;

upstream raw materials:

(-)-JQ₁

(2-amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone

Downstream raw materials:

C₁₉H₁₉ClN₆OS

(R)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide