Cas no 89088-56-2 (Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate)

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate structure
89088-56-2 structure
Product Name:Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CAS No:89088-56-2
MF:C6H9N3O2
MW:155.154560804367
MDL:MFCD08443798
CID:711008
PubChem ID:13248993
Update Time:2024-10-26

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
    • 1H-Pyrazole-5-carboxylicacid, 3-amino-1-methyl-, methyl ester
    • Methyl 3-amino-1-methyl-pyrazole-5-carboxylate
    • methyl 5-amino-2-methylpyrazole-3-carboxylate
    • METHYL-3-AMINO-1-METHYL PYRAZOLE-5-CARBOXYLATE
    • 5-amino-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
    • 5-carbomethoxy-3-amino-1-methylpyrazole
    • methyl 1-methyl-3-aminopyrazole-5-carboxylate
    • methyl 3-amino-1-methylpyrazole-5-carboxylate
    • 3-Amino-1-methyl-1H-pyrazole-5-carboxylic acid methyl ester
    • MFCD08443798
    • 1H-Pyrazole-5-carboxylic acid, 3-amino-1-methyl-, methyl ester
    • P18705
    • SCHEMBL286598
    • Methyl 5-amino-2-methyl-pyrazole-3-carboxylate
    • NSC-742392
    • AKOS006290898
    • NSC 742392
    • STL415076
    • IPYMLHZUKGMYTP-UHFFFAOYSA-N
    • methyl-3-amino-1-methylpyrazole-5-carboxylate
    • SY092357
    • Z1198178274
    • BS-42910
    • NSC742392
    • DB-008631
    • J-522124
    • 89088-56-2
    • DTXSID30531913
    • CS-0055084
    • EN300-110104
    • MDL: MFCD08443798
    • Inchi: 1S/C6H9N3O2/c1-9-4(6(10)11-2)3-5(7)8-9/h3H,1-2H3,(H2,7,8)
    • InChI Key: IPYMLHZUKGMYTP-UHFFFAOYSA-N
    • SMILES: N1(C(=CC(=N1)N([H])[H])C(OC)=O)C

Computed Properties

  • Exact Mass: 155.06900
  • Monoisotopic Mass: 155.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 70.1?2

Experimental Properties

  • Density: 1.351
  • Boiling Point: 326.168°C at 760 mmHg
  • Flash Point: 151.062°C
  • Refractive Index: 1.584
  • PSA: 70.14000
  • LogP: 0.37010
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate Security Information

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  overnight, 30 psi, rt
Reference
Preparation of dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  16 h, rt
Reference
Preparation of pyrazole-3-carboxylic acid amide derivatives as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  16 h, 30 psi, rt
Reference
Preparation of 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
Reference
Synthesis and characterization of masked aminopyrazolecarboxylic acid synthons
Lee, Ho H.; Cain, Bruce F.; Denny, William A.; Buckleton, John S.; Clark, George R., Journal of Organic Chemistry, 1989, 54(2), 428-31

Production Method 5

Reaction Conditions
1.1 Reagents: Hydroxylamine
Reference
Pyrazolothiadiazoles from 3-aminopyrazoles: the hetero-Herz reaction
Chenard, B. L., Journal of Organic Chemistry, 1984, 49(7), 1224-7

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate Raw materials

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate Preparation Products

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