1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
• CAS No.: 40401-41-0
• Molecular Formula: C10H10ClN3
• Molecular Weight: 207.662
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20365249
• Nikkaji Number: J37.332J
• Wikidata: Q82149761
• Mol file: 40401-41-0.mol

Synonyms:40401-41-0;1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine;2-(3-Chloro-phenyl)-5-methyl-2H-pyrazol-3-ylamine;2-(3-chlorophenyl)-5-methylpyrazol-3-amine;MFCD00053364;Oprea1_655309;SCHEMBL405007;DTXSID20365249;YQXLXMSDCGPOLM-UHFFFAOYSA-N;AM9936;STK234816;AKOS000122206;KS-6871;CS-0218911;FT-0677836;EN300-02447;1-(3-chlorophenyl)-3-methyl-1hpyrazol-5-amine;SR-01000031792;1-(3-Chlorophenyl)-3-methyl-1H-pyrazole-5-amine;SR-01000031792-1;2-(3-Chlorophenyl)-5-methyl-2H-pyrazol-3-yl amine;Z55148902;1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-ylamine, AldrichCPR

Chemical Property of 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 1.05E-05mmHg at 25°C
• Melting Point: 139-140oC
• Refractive Index: 1.643
• Boiling Point: 371.2 °C at 760 mmHg
• Flash Point: 178.3 °C
• PSA: 43.84000
• Density: 1.32 g/cm³
• LogP: 2.99750
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.0563250
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)N)C2=CC(=CC=C2)Cl

Technology Process of 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine

There total 8 articles about 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine 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: 69.0%

3-Aminocrotononitrile (1118-61-2) + 3-chlorophenyl hydrazine (14763-20-3) → 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine (40401-41-0)

Guidance literature:

With hydrogenchloride; In water; for 12h; Heating;

DOI:10.1007/s10593-018-2229-7

Reference yield: 65.0%

3-Aminocrotononitrile (1118-61-2) + 3-chloro-aniline (108-42-9) → 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine (40401-41-0)

Guidance literature:

3-chloro-aniline; With hydrogenchloride; sodium nitrite; In water; at -2 - 0 ℃; for 1h; Green chemistry;

With ascorbic acid; In water; at -2 - 0 ℃; Green chemistry;

3-Aminocrotononitrile; In water; at 45 - 90 ℃; Green chemistry;

DOI:10.1039/c3ra47541g

Reference yield: 20.0%

3-Aminocrotononitrile (1118-61-2) + m-chlorophenylhydrazine hydrochloride (2312-23-4) → 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine (40401-41-0)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux; Inert atmosphere;

upstream raw materials:

buta-2,3-dienenitrile

3-chlorophenyl hydrazine

3-Aminocrotononitrile

m-chlorophenylhydrazine hydrochloride

Downstream raw materials:

5-Acetamido-1-(3-chlorophenyl)-3-methylpyrazole

N-[2-(3-Chloro-phenyl)-5-methyl-2H-pyrazol-3-yl]-benzamide

1-(3-Chlorophenyl)-3-methyl-5-benzylsulfonamidopyrazole

1-(3'-cloro)fenil-3-metil-4-nitroso-5-amminopirazolo