1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-1-carboxylate

Base Information

Chemical Name:1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-1-carboxylate
CAS No.:393590-63-1
Molecular Formula:C16H21N3O3
Molecular Weight:303.361
Hs Code.:
DSSTox Substance ID:DTXSID501139099
Mol file:393590-63-1.mol

Synonyms:DTXSID501139099;393590-63-1;1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-1-carboxylate

Suppliers and Price of 1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-1-carboxylate

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

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Chemical Property of 1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-1-carboxylate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:303.15829154
Heavy Atom Count:22
Complexity:364

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C(=CC(=N1)N)COCC2=CC=CC=C2

Technology Process of 1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-1-carboxylate

There total 1 articles about 1,1-Dimethylethyl 3-amino-5-[(phenylmethoxy)methyl]-1H-pyrazole-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: 53.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 393590-62-0
5-[(benzyloxy)methyl]-1H-pyrazol-3-amine

: 393590-63-1
tert-butyl 3-amino-5-[(benzyloxy)methyl]-1H-pyrazole-1-carboxylate

Guidance literature:: 5-[(benzyloxy)methyl]-1H-pyrazol-3-amine; With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

di-tert-butyl dicarbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 2h; Further stages.;
DOI:10.1021/jm010326y

Reference yield:

: 7693-46-1
4-Nitrophenyl chloroformate

: 322692-77-3
9-amino-1,2,3,9b-tetrahydro-5H-pyrrolo[2,1-α]isoindol-5-one

: 393590-63-1
tert-butyl 3-amino-5-[(benzyloxy)methyl]-1H-pyrazole-1-carboxylate

: 393590-65-3
tert-butyl 5-[(benzyloxy)methyl]-3-({[(5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-α]isoindol-9-yl)amino]carbonyl}amino)-1H-pyrazole-1-carboxylate

Guidance literature:: 4-Nitrophenyl chloroformate; tert-butyl 3-amino-5-[(benzyloxy)methyl]-1H-pyrazole-1-carboxylate; With dmap; In chloroform; at 70 ℃; for 0.5h;

9-amino-1,2,3,9b-tetrahydro-5H-pyrrolo[2,1-α]isoindol-5-one; In chloroform; at 70 ℃; for 2h; Further stages.;
DOI:10.1021/jm010326y