1H-Pyrrole-2-carbonyl chloride, 5-(trimethylsilyl)-

Base Information

• Chemical Name: 1H-Pyrrole-2-carbonyl chloride, 5-(trimethylsilyl)-
• CAS No.: 250722-66-8
• Molecular Formula: C8H12 Cl N O Si
• Molecular Weight: 201.728
• DSSTox Substance ID: DTXSID00446424
• Nikkaji Number: J2.073.571F
• Wikidata: Q82265057
• Mol file: 250722-66-8.mol

Synonyms:250722-66-8;1H-PYRROLE-2-CARBONYL CHLORIDE, 5-(TRIMETHYLSILYL)-;DTXSID00446424;5-(Trimethylsilyl)-1H-pyrrole-2-carboxylic acid chloride

Chemical Property of 1H-Pyrrole-2-carbonyl chloride, 5-(trimethylsilyl)-

Chemical Property:

• PSA: 32.86000
• LogP: 1.93890
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.0376682
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)C1=CC=C(N1)C(=O)Cl

Technology Process of 1H-Pyrrole-2-carbonyl chloride, 5-(trimethylsilyl)-

There total 3 articles about 1H-Pyrrole-2-carbonyl chloride, 5-(trimethylsilyl)- 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:

lithio 2-TMS-pyrrole-5-carboxylate → 5-TMS-pyrrole-2-carbonyl chloride (250722-66-8)

Guidance literature:

With oxalyl dichloride;

DOI:10.1021/ja992487l

Reference yield:

2-bromo-5-trimethylsilanyl-pyrrole-1-carboxylic acid tert-butyl ester (250722-45-3) → 5-TMS-pyrrole-2-carbonyl chloride (250722-66-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / n-BuLi / diethyl ether / -78 °C

2: 150 °C

3: oxalyl chloride

With n-butyllithium; oxalyl dichloride; In diethyl ether; 1: Metallation / 1: Carboxylation / 2: deprotection / 3: Chlorination;

DOI:10.1021/ja992487l

Reference yield:

lithium; 1-tert-butoxycarbonyl-5-trimethylsilanyl-1H-pyrrole-2-carboxylate → 5-TMS-pyrrole-2-carbonyl chloride (250722-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 150 °C

2: oxalyl chloride

With oxalyl dichloride; 1: deprotection / 2: Chlorination;

DOI:10.1021/ja992487l

upstream raw materials:

2-bromo-5-trimethylsilanyl-pyrrole-1-carboxylic acid tert-butyl ester

Downstream raw materials:

2-oxo-4-[(2-trimethylsilanyl-ethanesulfonyl)-(5-trimethylsilanyl-1H-pyrrole-2-carbonyl)-amino]-4,6a-dihydro-3aH-cyclopentaoxazole-3-carboxylic acid benzyl-methyl-amide

C₁₉H₁₉BrN₄O₃

C₁₉H₁₇Br₃N₄O₃

2-oxo-4-[(5-trimethylsilanyl-1H-pyrrole-2-carbonyl)-amino]-4,6a-dihydro-3aH-cyclopentaoxazole-3-carboxylic acid benzyl-methyl-amide

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