Cas no 850429-62-8 (N-Boc Methyl 2-Aminothioazole-4-carboxylate)

N-Boc Methyl 2-Aminothioazole-4-carboxylate structure
850429-62-8 structure
Product Name:N-Boc Methyl 2-Aminothioazole-4-carboxylate
CAS No:850429-62-8
MF:C10H14N2O4S
MW:258.294161319733
MDL:MFCD06659910
CID:721505
PubChem ID:7213137
Update Time:2024-10-26

N-Boc Methyl 2-Aminothioazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-Boc-aminothiazole-4-carboxylate
    • 2-TERT-BUTOXYCARBONYLAMINOTHIAZOLE-4-CARBOXYLIC ACID METHYL ESTER
    • 4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
    • Methyl 2-(BOC-amino)thiazole-4-carboxylate
    • Methyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate
    • methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
    • N-Boc Methyl 2-Aminothioazole-4-carboxylate
    • BOC-2-AMINO-4-THIAZOLE-CARBOXYLIC ACID METHYL ESTER
    • methyl 2-((tert-butoxycarbonyl)amino)thiazole-4-carboxylate
    • methyl 2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-4-carboxylate
    • methyl 2-[[(tert-butoxy)carbonyl]amino]-1,3-thiazole-4-carboxylate
    • methyl 2-[(2-
    • Methyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolecarboxylate (ACI)
    • 2-[(tert-Butoxycarbonyl)amino]thiazole-4-carboxylic acid methyl ester
    • VLJAUDDGOCGHFB-UHFFFAOYSA-N
    • Methyl 2-((tert-Butoxycarbonyl)amino)thiazole-4-carboxylate;2-[(tert-Butoxycarbonyl)amino]thiazole-4-carboxylic acid methyl ester,Methyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate
    • 850429-62-8
    • AB2683
    • Methyl2-Boc-aminothiazole-4-carboxylate
    • DS-0186
    • CS-0045352
    • DB-001703
    • AB26612
    • methyl 2-[(tert-butoxycarbonyl)amino]-1,3-thiazole-4-carboxylate
    • 2-tert-butoxycarbonylamino-thiazole-4-carboxylic acid methyl ester
    • MFCD06659910
    • SY109794
    • DTXSID20428424
    • AKOS005265114
    • Methyl 2-amino-1,3-thiazole-4-carboxylate, N-BOC protected
    • SCHEMBL3382178
    • MDL: MFCD06659910
    • Inchi: 1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-8-11-6(5-17-8)7(13)15-4/h5H,1-4H3,(H,11,12,14)
    • InChI Key: VLJAUDDGOCGHFB-UHFFFAOYSA-N
    • SMILES: O=C(NC1SC=C(C(OC)=O)N=1)OC(C)(C)C

Computed Properties

  • Exact Mass: 258.06700
  • Monoisotopic Mass: 258.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 303
  • 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
  • Topological Polar Surface Area: 106
  • XLogP3: 2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.297
  • Melting Point: 156-160
  • Refractive Index: 1.56
  • PSA: 105.76000
  • LogP: 2.34970

N-Boc Methyl 2-Aminothioazole-4-carboxylate Security Information

N-Boc Methyl 2-Aminothioazole-4-carboxylate Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

N-Boc Methyl 2-Aminothioazole-4-carboxylate Pricemore >>

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AB246539-10 g
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N-Boc Methyl 2-Aminothioazole-4-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Methanol ;  0 °C; 2 h, 40 °C
2.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  1.5 h, rt
Reference
4,6-Substituted-1H-indazoles as potent IDO1/TDO dual inhibitors
Yang, Lingling; et al, Bioorganic & Medicinal Chemistry, 2019, 27(6), 1087-1098

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  1.5 h, rt
Reference
4,6-Substituted-1H-indazoles as potent IDO1/TDO dual inhibitors
Yang, Lingling; et al, Bioorganic & Medicinal Chemistry, 2019, 27(6), 1087-1098

N-Boc Methyl 2-Aminothioazole-4-carboxylate Raw materials

N-Boc Methyl 2-Aminothioazole-4-carboxylate Preparation Products

N-Boc Methyl 2-Aminothioazole-4-carboxylate Related Literature

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