Methyl 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate

Name: Methyl 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate
Brand: ChemScene
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CAS No. 606144-02-9
Cat. No. CS-M0258
Purity≥98%
MDL No.MFCD15142594

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate|CS-M0258

Structure of 606144-02-9

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General Information

CAS No. 606144-02-9
Cat. No. CS-M0258
Purity ≥98%
MDL No. MFCD15142594
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₂BrClFN₃O₂
Molecular Weight 412.64
Synonym(s) Methyl 5-(4-broMo-2-chlorophenylaMino)-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylate
SMILES O=C(OC)C1=C(NC(C=C2)=C(Cl)C=C2Br)C(F)=C3N=CN(C)C3=C1

Synthesis

Route1
- In-stock
  
  918321-20-7
- In-stock
  
  31928-47-9
- ~67%
- 606144-02-9
References
- ARRAY BIOPHARMA INC.; ASTRAZENECA AB Patent: WO2007/2157 A2, 2007 ; Location in patent: Page/Page column 72; 73 ; WO 2007/002157 A2
Route2
- 606143-46-8
- 74-88-4
- ~35%
- 606144-03-0
- 606144-02-9
References
- Wallace, Eli M.; Lyssikatos, Joseph P.; Marlow, Allison L.; Hurley, T. Brian Patent: US2003/232869 A1, 2003 ; Location in patent: Page 10; 22 ; US 20030232869 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 56.15
LogP 4.6585
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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Methyl 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate

CAS No. 606144-02-9

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