4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid

Base Information

• Chemical Name: 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid
• CAS No.: 128293-64-1
• Molecular Formula: C10H15N3O4
• Molecular Weight: 241.247
• Hs Code.: 29332900
• European Community (EC) Number: 673-967-5
• DSSTox Substance ID: DTXSID40373780
• Nikkaji Number: J757.303K
• Wikidata: Q72509869
• Mol file: 128293-64-1.mol

Synonyms:128293-64-1;4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid;4-tert-butoxycarbonylamino-1-methyl-1h-imidazole-2-carboxylic acid;4-(boc-amino)-1-methyl-1h-imidazole-2-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic Acid;4-(tert-butoxycarbonylamino)-1-methyl-1H-imidazole-2-carboxylic acid;MFCD03093495;4-{[(tert-butoxy)carbonyl]amino}-1-methylimidazole-2-carboxylic acid;4-(boc-amino)-1-methylimidazole-2-carboxylic acid;4-[(tert-butoxycarbonyl)amino]-1-methyl-1h-imidazole-2-carboxylic acid;SCHEMBL1986577;DTXSID40373780;GZBSJWBQXNCOFP-UHFFFAOYSA-N;AMY11923;AKOS015902105;AB13245;CS-W021979;FD13122;AS-48891;SY063570;FT-0643084;EN300-1071062;A805805;1-methyl-4-(BOC amino)imidazole-2-carboxylic acid;J-005590;4-BOC-amino-1-methyl-1h-imidazole-2-carboxylic acid;(4-Boc-amino)-1-methyl-1H-imidazole-2-carboxylic acid;[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid;4-[(t-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid;4-[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid;4-tert-Butoxycarbonylamino-1-methyl-1H-imidazole -2-carboxylic acid;1-Methyl-4-(tert-butoxycarbonylamino)-1H-imidazole-2-carboxylic acid;4-[[(tert-Butyloxy)carbonyl]-amino]-1-methylimidazole-2-carboxylic acid;4-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-imidazole-2-carboxylic acid;1H-IMIDAZOLE-2-CARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-METHYL-;4-tert-Butoxycarbonylamino-1-methyl-1H-imidazole-2-carboxylic acid, AldrichCPR

Chemical Property of 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid

Chemical Property:

• Melting Point: 200-201 °C
• Refractive Index: 1.558
• PKA: 1.22±0.32(Predicted)
• PSA: 93.45000
• Density: 1.29g/cm³
• LogP: 1.53830
• Storage Temp.: -15°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 241.10625597
• Heavy Atom Count: 17
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

4-(Boc-amino)-1-methyl-1H-imidazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43-36/37/38
• Safety Statements: 36/37-36/37/39-28-3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CN(C(=N1)C(=O)O)C
• Uses: 4-(Boc-amino)-1-methyl-1H-imidazole-2-carboxylic Acid is used in the synthesis of polyamides containing imidazole and pyrrole amino acids. It is also used to prepare distamycin A analogs as DNA binding agents.

Technology Process of 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid

There total 16 articles about 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid 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: 94.0%

ethyl 4-tert-butyloxycarbonylamino-1-methylimidazole-2-carboxylate (128293-63-0) → 4-[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid (128293-64-1)

Guidance literature:

With sodium hydroxide; 1.) 60 deg C, 15 min, 2.) RT, 1 h;

Reference yield: 88.0%

→ 4-[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid (128293-64-1)

Guidance literature:

Reference yield: 87.0%

methyl 4-[(tert-butoxycarbonyl)amino]-N-methyl-1H-imidazole-2-carboxylate (500701-36-0) → 4-[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid (128293-64-1)

Guidance literature:

With potassium tert-butylate; water; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/jo048686r

upstream raw materials:

ethyl 4-tert-butyloxycarbonylamino-1-methylimidazole-2-carboxylate

ethyl 1-methyl-4-nitroimidazole-2-carboxylate

methyl 4-[(tert-butoxycarbonyl)amino]-N-methyl-1H-imidazole-2-carboxylate

2,2,2-trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one

Downstream raw materials:

C₆₀H₇₃N₂₃O₁₀

C₅₇H₇₁N₂₃O₁₀

C₅₅H₆₉N₂₃O₉

C₅₃H₆₄N₂₂O₉