(3-(1H-Pyrazol-1-yl)phenyl)methanamine

Base Information

• Chemical Name: (3-(1H-Pyrazol-1-yl)phenyl)methanamine
• CAS No.: 687635-04-7
• Molecular Formula: C10H11N3

• Molecular Weight: 173.217
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID90352601
• Wikidata: Q27456933
• ChEMBL ID: CHEMBL1622853
• Mol file: 687635-04-7.mol

Synonyms:687635-04-7;(3-(1H-Pyrazol-1-yl)phenyl)methanamine;3-Pyrazol-1-yl-benzylamine;(3-pyrazol-1-ylphenyl)methanamine;[3-(1H-Pyrazol-1-yl)phenyl]methylamine;3-(1H-Pyrazol-1-yl)benzylamine;1-[3-(1H-pyrazol-1-yl)phenyl]methanamine;[3-(1H-pyrazol-1-yl)phenyl]methanamine;CHEMBL1622853;MFCD03449005;(3-(1h-pyrazol-1-yl)phenyl)methylamine;Benzenemethanamine, 3-(1H-pyrazol-1-yl)-;Oprea1_340765;Oprea1_667250;SCHEMBL1793682;DTXSID90352601;YWZKZHCZKIKAAC-UHFFFAOYSA-N;[3-(1H-pyrazol-1-yl)benzyl]amine;BDBM50579233;STL059519;AKOS001666303;PS-5471;3-pyrazol-1-yl-benzylamine, AldrichCPR;AC-22875;BB 0220089;EU-0014585;FT-0685471;EN300-80163;A836241;J-501067;Q27456933

Chemical Property of (3-(1H-Pyrazol-1-yl)phenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.000311mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 320.8 °C at 760 mmHg
• Flash Point: 147.8 °C
• PSA: 43.84000
• Density: 1.16 g/cm³
• LogP: 2.03130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

3-Pyrazol-1-yl-benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=CC=N2)CN

Technology Process of (3-(1H-Pyrazol-1-yl)phenyl)methanamine

There total 1 articles about (3-(1H-Pyrazol-1-yl)phenyl)methanamine 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:

→ (3-(1H-pyrazol-1-yl)phenyl)methanamine sulfate (687635-04-7)

Guidance literature:

Reference yield: 76.0%

(3-(1H-pyrazol-1-yl)phenyl)methanamine sulfate (687635-04-7) + bromocyane (506-68-3) → N-(3-(1H-pyrazol-1-yl)benzyl)cyanamide (1620568-58-2)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 20 ℃; for 16.5h;

DOI:10.1016/j.tetlet.2014.06.019

Reference yield: 65.0%

(3-(1H-pyrazol-1-yl)phenyl)methanamine sulfate (687635-04-7) + 2,4,6-triphenylpyrylium tetrafluoroborate (448-61-3) → 1‐(3-(1H‐pyrazol‐1‐yl)benzyl)-2,4,6‐triphenylpyridin-1‐ium tetrafluoroborate

Guidance literature:

(3-(1H-pyrazol-1-yl)phenyl)methanamine sulfate; 2,4,6-triphenylpyrylium tetrafluoroborate; In dichloromethane; at 20 ℃; for 0.333333h; Molecular sieve; Sealed tube; Inert atmosphere;

With acetic acid; In dichloromethane; at 20 ℃; for 5h; Molecular sieve; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01062

Downstream raw materials:

4-chloro-6-(3-pyrazol-1-yl-benzylamino)-2H-phthalazin-1-one

C₁₄H₁₉N₃

C₂₄H₂₉N₇O

N-(3-(1H-pyrazol-1-yl)benzyl)cyanamide

Refernces