Methyl 3-amino-4-methylthiophene-2-carboxylate

Name: Methyl 3-amino-4-methylthiophene-2-carboxylate
Brand: ChemScene
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CAS No. 85006-31-1
Cat. No. CS-W020012
Purity≥98%
MDL No.MFCD00051822

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 3-amino-4-methylthiophene-2-carboxylate|CS-W020012

Structure of 85006-31-1

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General Information

CAS No. 85006-31-1
Cat. No. CS-W020012
Purity ≥98%
MDL No. MFCD00051822
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉NO₂S
Molecular Weight 171.22
Synonym(s) Methyl-3-amino-4-methylthiophene-2-carboxylate
SMILES O=C(C1=C(N)C(C)=CS1)OC

Application

Methyl 3-amino-4-methylthiophene-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling direct functionalization at the amino and carboxylate positions. Its thiophene core offers robust stability and compatibility with standard coupling reactions, while the methylthio group facilitates selective transformations. The compound functions effectively in transition-metal-catalyzed cross-couplings and serves as a scaffold for medicinal chemistry campaigns requiring planar, electron-rich heterocycles.

Synthesis

Route1
- 2689-70-5
- ~65%
- In-stock
  
  85006-31-1
References
- Barker, John M.; Huddleston, Patrick R.; Wood, Michael L. Synthetic Communications, 2002 , vol. 32, # 16 p. 2565 - 2568
Route2
- 125089-02-3
- ~%
- In-stock
  
  85006-31-1
References
- US5166346 A1, ;

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 52.32
LogP 1.42532
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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Methyl 3-amino-4-methylthiophene-2-carboxylate

CAS No. 85006-31-1

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