Tert-butyl 4-bromo-5-methyl-1H-indazole-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-bromo-5-methyl-1H-indazole-1-carboxylate
• CAS No.: 926922-41-0
• Molecular Formula: C₁₃H₁₅BrN₂O₂
• Molecular Weight: 311.178
• Hs Code.: 2933998090
• European Community (EC) Number: 813-846-8
• DSSTox Substance ID: DTXSID30694158
• Wikidata: Q82623160
• Mol file: 926922-41-0.mol

Synonyms:926922-41-0;TERT-BUTYL 4-BROMO-5-METHYL-1H-INDAZOLE-1-CARBOXYLATE;4-Bromo-5-methyl-1H-indazole, N1-BOC protected;tert-butyl 4-bromo-5-methylindazole-1-carboxylate;AMY7528;DTXSID30694158;BMB92241;MFCD16628190;AKOS025393460;PS-7082;N1-BOC-4-Bromo-5-methyl-1H-indazole;CS-0313794;FT-0741163;D79748;4-Bromo-5-methyl-1H-indazole,N1-BOC protected;J-524689;TERT-BUTYL4-BROMO-5-METHYL-1H-INDAZOLE-1-CARBOXYLATE;tert-Butyl 4-bromo-5-methyl-1H-indazole-1-carboxylate, 4-Bromo-1-(tert-butoxycarbonyl)-5-methyl-1H-indazole

Chemical Property of Tert-butyl 4-bromo-5-methyl-1H-indazole-1-carboxylate

Chemical Property:

• PSA: 44.12000
• LogP: 3.89040
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 310.03169
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-5-methyl-1H-indazole, N1-Boc protected ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)N(N=C2)C(=O)OC(C)(C)C)Br

Technology Process of Tert-butyl 4-bromo-5-methyl-1H-indazole-1-carboxylate

There total 1 articles about Tert-butyl 4-bromo-5-methyl-1H-indazole-1-carboxylate 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:

4-bromo-5-methyl-1H-indazole (926922-40-9) + di-tert-butyl dicarbonate (24424-99-5) → 5-methyl-4-bromo-N-(tert-butoxycarbonyl)-indazole (926922-41-0)

Guidance literature:

With dmap; In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield:

N-(4-(dimethylphosphoryl)phenyl)-9-vinyl-9H-purin-6-amine (926922-15-8) + 5-methyl-4-bromo-N-(tert-butoxycarbonyl)-indazole (926922-41-0) → C28H30N7O3P (926922-42-1)

Guidance literature:

With palladium diacetate; N-ethyl-N,N-diisopropylamine; tris-(o-tolyl)phosphine; In N,N-dimethyl-formamide; at 120 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2008.06.042

upstream raw materials:

4-bromo-5-methyl-1H-indazole

di-tert-butyl dicarbonate

Downstream raw materials:

C₂₈H₃₀N₇O₃P

Refernces

• 1、 -. "UNSATURATED HETEROCYCLIC DERIVATIVES". Page/Page column 43. . Retrieved 2008/06/13.