Cas no 161970-71-4 ((3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one)

(3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one structure
161970-71-4 structure
Product Name:(3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
CAS No:161970-71-4
MF:C18H17NO2
MW:279.333084821701
MDL:MFCD00274329
CID:235214
PubChem ID:854037
Update Time:2025-08-04

(3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one Chemical and Physical Properties

Names and Identifiers

    • (3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
    • (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
    • (3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
    • 3-Trifluoromethylalanine
    • Pyrrolo[2,1-b]oxazol-5(6H)-one,tetrahydro-3,7a-diphenyl-, (3S,7aS)-
    • (5S,7aS)-5,7a-diphenyl-2,5,6,7,7a-pentahydro-7-oxapyrrolizin-3-one
    • 458538_ALDRICH
    • AC1LGYT3
    • KB-62819
    • (3S-CIS)-(+)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[2,1-B]-OXAZOL-5(6H)-ONE
    • Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3,7a-diphenyl-, (3S-cis)-.
    • (3S-cis)-(+)-3,7a-Diphenyltetrahydropyrrolo-[2,1-b]oxazol-5(6H)-one,97%
    • (3S-CIS)-(+)-3,7A-DIPHENYLTETRAHYDROPYRROLO-[2,1-B]OXAZOL-5(6H)-ONE 97%
    • (3S-CIS)-(+)-TETRAHYDRO-3,7A-DIPHENY-PYR ROLO(2,1-B)OXAZOL-5(6H)-ONE, 98%
    • (3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
    • 161970-71-4
    • DTXSID50357531
    • AKOS022180402
    • MDL： MFCD00274329
    • Inchi： 1S/C18H17NO2/c20-17-11-12-18(15-9-5-2-6-10-15)19(17)16(13-21-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,18+/m1/s1
    • InChI Key： DKQMLBIEOBOMDP-AEFFLSMTSA-N
    • SMILES： O1C[C@H](C2C=CC=CC=2)N2C(CC[C@@]12C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 279.12601
  • Monoisotopic Mass: 279.125929
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 398
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.4
  • Topological Polar Surface Area: 29.5

Experimental Properties

  • Color/Form: Yellowish crystalline powder
  • Density: 1.1441 (rough estimate)
  • Melting Point: 78 °C
  • Boiling Point: 422.1°C (rough estimate)
  • Flash Point: 239.1°C
  • Refractive Index: 1.5100 (estimate)
  • PSA: 29.54
  • Solubility: Not available

(3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one Security Information

  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： 36/37-36-26
  • Hazardous Material Identification： Xn Xi
  • Risk Phrases：R20/21/22
  • Safety Term：S36/37-36-26

(3S,7aS)-3,7a-Diphenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Cooke Chemical
S4309451-1G
(3S-CIS)-(+)-TETRAHYDRO-3,7A-DIPHENYLPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
 161970-71-4 AldrichCPR
1g
 RMB 1299.72 2025-02-21

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