3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Base Information

• Chemical Name: 3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• CAS No.: 5673-65-4
• Molecular Formula: C26H17ClF3N5O5S
• Molecular Weight: 291.101
• DSSTox Substance ID: DTXSID80386359

Synonyms:3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;5673-65-4;SCHEMBL1720218;DTXSID80386359;HMOSIXRBYKORFC-UHFFFAOYSA-N;STK342857;AKOS001604793;SR-01000414770;SR-01000414770-1;3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Chemical Property of 3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.56g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 603.0591020
• Heavy Atom Count: 41
• Complexity: 927

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F

Technology Process of 3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

There total 4 articles about 3-chloro-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 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:

benzyloxycarbonylalanine p-nitrophenyl ester (1168-87-2) → L-alanine p-nitrophenyl ester hydrobromide (5673-65-4)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1021/ja01524a040

Reference yield:

tris(p-nitrophenyl)-phosphite (23485-35-0) → L-alanine p-nitrophenyl ester hydrobromide (5673-65-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: hydrogen bromide; acetic acid

With pyridine; hydrogen bromide; acetic acid;

DOI:10.1021/ja01524a040

Reference yield:

2-Benzyloxycarbonylamino-propionic acid 4-nitro-phenyl ester (4108-17-2) → DL-alanine-(4-nitro-phenyl ester); hydrobromide (5673-65-4,71776-25-5)

Guidance literature:

With hydrogen bromide; acetic acid;

upstream raw materials:

benzyloxycarbonylalanine p-nitrophenyl ester

tris(p-nitrophenyl)-phosphite

2-Benzyloxycarbonylamino-propionic acid 4-nitro-phenyl ester

4-nitro-phenol

Downstream raw materials:

Benzyloxycarbonylamino-thioacetic acid S-(3-{(2R,3R)-3-[3-(2-benzyloxycarbonylamino-acetylsulfanyl)-phenylsulfanylmethyl]-1,4,7,10,13,16-hexaoxa-cyclooctadec-2-ylmethylsulfanyl}-phenyl) ester

Benzyloxycarbonylamino-thioacetic acid S-(2-{(2R,3R)-3-[2-(2-benzyloxycarbonylamino-acetylsulfanyl)-phenylsulfanylmethyl]-1,4,7,10,13,16-hexaoxa-cyclooctadec-2-ylmethylsulfanyl}-phenyl) ester

(2S,3S)-S-(N-carbobenzyloxyglycyl)-S'-L-alanyl-2,3-bis(2-mercaptophenylthiomethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane hydrochloride

4-nitro-phenol

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