Cas no 88786-11-2 (3-(propan-2-yl)-1,2-oxazol-5-amine)

3-(propan-2-yl)-1,2-oxazol-5-amine structure
88786-11-2 structure
Product Name:3-(propan-2-yl)-1,2-oxazol-5-amine
CAS No:88786-11-2
MF:C6H10N2O
MW:126.156401157379
MDL:MFCD06335179
CID:722231
PubChem ID:2115208
Update Time:2025-08-03

3-(propan-2-yl)-1,2-oxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 3-Isopropylisoxazol-5-amine
    • [3-(Propan-2-yl)-1,2-oxazol-5-yl]amine
    • 3-propan-2-yl-1,2-oxazol-5-amine
    • 3-propan-2-yloxazol-5-amine
    • 5-Isoxazolamine, 3-(1-methylethyl)-
    • 3-(1-Methylethyl)-5-isoxazolamine (ACI)
    • 5-Amino-3-isopropylisoxazole
    • 3-(PROPAN-2-YL)-1,2-OXAZOL-5-AMINE
    • AKOS000533144
    • HMS1759J16
    • Z56985760
    • 3-isopropyl-1,2-oxazol-5-amine
    • 3-isopropylisoxazole-5-amine
    • 3-Isopropylisoxazol-5-ylamine
    • 88786-11-2
    • CG-0713
    • AB23736
    • SCHEMBL668096
    • DB-078214
    • MFCD06335179
    • DTXSID90366602
    • SY065831
    • CS-W021950
    • F2124-0438
    • 3-Isopropyl-isoxazol-5-ylamine
    • J-512730
    • EN300-09720
    • 3-isopropylisoxazol-5-amine, AldrichCPR
    • A842896
    • 3-(propan-2-yl)-1,2-oxazol-5-amine
    • MDL: MFCD06335179
    • Inchi: 1S/C6H10N2O/c1-4(2)5-3-6(7)9-8-5/h3-4H,7H2,1-2H3
    • InChI Key: GHLVMBXOBZVJIC-UHFFFAOYSA-N
    • SMILES: N1=C(C(C)C)C=C(N)O1

Computed Properties

  • Exact Mass: 126.07900
  • Monoisotopic Mass: 126.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 95.1
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 1.2
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.070±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 239.5±20.0 oC (760 Torr),
  • Flash Point: 98.6±21.8 oC,
  • Solubility: Slightly soluble (12 g/l) (25 o C),
  • PSA: 52.05000
  • LogP: 1.96140

3-(propan-2-yl)-1,2-oxazol-5-amine Security Information

3-(propan-2-yl)-1,2-oxazol-5-amine Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(propan-2-yl)-1,2-oxazol-5-amine Pricemore >>

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3-(propan-2-yl)-1,2-oxazol-5-amine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium acetate ,  Hydroxyamine hydrochloride Solvents: Methanol ;  1 h, rt
1.2 overnight, rt
1.3 Solvents: Water ;  rt
Reference
An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived N-Boc ketimines
Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei, Organic & Biomolecular Chemistry, 2021, 19(17), 3820-3824

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydroxylamine, sulfate Solvents: Ethanol ,  Water ;  pH 7.5, rt; 15 h, 80 °C
Reference
Identification of 1-(3-(6,7-Dimethoxyquinazolin-4-yloxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea Hydrochloride (CEP-32496), a Highly Potent and Orally Efficacious Inhibitor of V-RAF Murine Sarcoma Viral Oncogene Homologue B1 (BRAF) V600E
Rowbottom, Martin W.; Faraoni, Raffaella; Chao, Qi; Campbell, Brian T.; Lai, Andiliy G.; et al, Journal of Medicinal Chemistry, 2012, 55(3), 1082-1105

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydroxylamine, sulfate Solvents: Water ;  pH 8 - 11, rt; 1.5 h, rt → 100 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  15 min, 100 °C; cooled
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 11
Reference
A reliable synthesis of 3-amino-5-alkyl and 5-amino-3-alkyl isoxazoles
Johnson, Leland; Powers, James; Ma, Fupeng; Jendza, Keith; Wang, Bing; et al, Synthesis, 2013, 45(2), 171-173

3-(propan-2-yl)-1,2-oxazol-5-amine Raw materials

3-(propan-2-yl)-1,2-oxazol-5-amine Preparation Products

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