Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate

Base Information

Chemical Name:Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate
CAS No.:117860-58-9
Molecular Formula:C₁₄H₁₅N₃O₄
Molecular Weight:289.291
Hs Code.:
DSSTox Substance ID:DTXSID70558169
NSC Number:742391
Wikidata:Q82440359

Synonyms:117860-58-9;SCHEMBL1267682;DTXSID70558169;RZXWEGHNHTVPFC-UHFFFAOYSA-N;NSC742391;Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate;NSC-742391;5-benzyloxycarbonylamino-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester

Suppliers and Price of Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:289.10625597
Heavy Atom Count:21
Complexity:371

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CC(=N1)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Technology Process of Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate

There total 5 articles about Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-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: 97.0%

: 89088-56-2
methyl 1-methyl-3-aminopyrazole-5-carboxylate

: 57710-80-2
1-benzyloxycarbonyl-1Hbenzo[d][1.2.3]triazole

: 117860-58-9
methyl 3-<(benzyloxycarbonyl)amino>-1-methylpyrazole-5-carboxylate

Guidance literature:: In N,N-dimethyl-formamide; for 2h;

Reference yield:

: 33146-99-5
methyl ester of 1-methylpyrazole-3,5-dicarboxylic acid

: 117860-58-9
methyl 3-<(benzyloxycarbonyl)amino>-1-methylpyrazole-5-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 68 percent / aq. H₂SO₄ / 18 h / Heating

2: SOCl₂ / 0.5 h / Heating

3: NaN₃ / acetone; H₂O / 0.02 h

4: toluene / 0.5 h / Heating

With thionyl chloride; sodium azide; sulfuric acid; In water; acetone; toluene;
DOI:10.1021/jo00263a032

Reference yield:

: 117860-56-7
5-(methoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid

: 117860-58-9
methyl 3-<(benzyloxycarbonyl)amino>-1-methylpyrazole-5-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂ / 0.5 h / Heating

2: NaN₃ / acetone; H₂O / 0.02 h

3: toluene / 0.5 h / Heating

With thionyl chloride; sodium azide; In water; acetone; toluene;
DOI:10.1021/jo00263a032