methyl 4-chloro-1H-pyrrole-2-carboxylate

Name: methyl 4-chloro-1H-pyrrole-2-carboxylate
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CAS No. 1194-96-3
Cat. No. CS-0207712
Purity≥95%
MDL No.MFCD11176523

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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methyl 4-chloro-1H-pyrrole-2-carboxylate|CS-0207712

Structure of 1194-96-3

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General Information

CAS No. 1194-96-3
Cat. No. CS-0207712
Purity ≥95%
MDL No. MFCD11176523
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆ClNO₂
Molecular Weight 159.57
Synonym(s) 2-methoxycarbonyl-4-chloropyrrole
SMILES COC(=O)C1=CC(=CN1)Cl

Description

Methyl 4-chloro-1H-pyrrole-2-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a chlorine atom at the C4 position. This electron-deficient pyrrole scaffold integrates readily into synthetic sequences requiring controlled reactivity. The ester functionality enables straightforward derivatization, supporting applications in medicinal chemistry and materials science where precise functional group placement is critical.

Synthesis

Route1
- 72652-31-4
- 124-41-4
- ~94%
- In-stock
  
  1194-96-3
References
- AMBIT BIOSCIENCES CORPORATION; ABRAHAM, Sunny; CHAO, Qi; HADD. Michael, J.; HOLLADAY, Mark, W.; LIU, Gang; NAMBU, Mitchell, D.; SETTI, Eduardo Patent: WO2010/2472 A1, 2010 ; Location in patent: Page/Page column 168 ; WO 2010/002472 A1
Route2
- 67-56-1
- 72652-31-4
- 124-41-4
- ~%
- In-stock
  
  1194-96-3
References
- WO2007/138355 A1, ; Page/Page column 89 ; WO 2007/138355 A1
Route3
- 67-56-1
- 72652-31-4
- ~89%
- In-stock
  
  1194-96-3
References
- Smith, Jason A.; Ng, Sarah; White, Jonathon Organic and Biomolecular Chemistry, 2006 , vol. 4, # 12 p. 2477 - 2482

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 42.09
LogP 1.4547
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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methyl 4-chloro-1H-pyrrole-2-carboxylate

CAS No. 1194-96-3

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