Cas no 869468-32-6 ((S)-Cbz-3-Amino-3-phenylpropan-1-ol)

(S)-Cbz-3-Amino-3-phenylpropan-1-ol structure
869468-32-6 structure
Product Name:(S)-Cbz-3-Amino-3-phenylpropan-1-ol
CAS No:869468-32-6
MF:C17H19NO3
MW:285.337664842606
MDL:MFCD16658906
CID:856449
PubChem ID:11550966
Update Time:2024-10-26

(S)-Cbz-3-Amino-3-phenylpropan-1-ol Chemical and Physical Properties

Names and Identifiers

    • (S)-Cbz-3-Amino-3-phenylpropan-1-ol
    • Cbz-S-3-amino-3-phenylpropan-1-ol
    • (S)-3-(n-Cbz-amino)-3-phenylpropan-1-ol
    • N-[(1S)-3-hydroxy-1-phenylpropyl]Carbamic acid phenylmethyl ester
    • N-[(1S)-3-Hydroxy-1-phenylpropyl]carbamic acid benzyl ester
    • Carbamic acid, [(1S)-3-hydroxy-1-phenylpropyl]-, phenylmethyl ester (9CI)
    • Phenylmethyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate (ACI)
    • [(1R)-3-Hydroxy-1-phenylpropyl]carbamic acid phenylmethyl ester
    • (S)-benzyl 3-Hydroxy-1-phenylpropylcarbamate
    • FD1001
    • 869468-32-6
    • benzyl (1S)-3-hydroxy-1-phenylpropylcarbamate
    • benzyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate
    • LHJCROXNTSGDSP-INIZCTEOSA-N
    • DB-076785
    • DS-14344
    • SCHEMBL16201456
    • CS-0149659
    • CbZ-(S)-3-Amino-3-phenylpropan-1-ol
    • AKOS015998594
    • AC-23778
    • MDL: MFCD16658906
    • Inchi: 1S/C17H19NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
    • InChI Key: LHJCROXNTSGDSP-INIZCTEOSA-N
    • SMILES: [C@@H](C1C=CC=CC=1)(CCO)NC(=O)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 285.13600
  • Monoisotopic Mass: 285.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 8
  • Complexity: 296
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6?2
  • XLogP3: 2.6

Experimental Properties

  • Color/Form: No data available
  • Density: 1.174
  • Melting Point: No data available
  • Boiling Point: 483.3°C at 760 mmHg
  • Flash Point: 246.1±28.7 °C
  • PSA: 58.56000
  • LogP: 3.42740

(S)-Cbz-3-Amino-3-phenylpropan-1-ol Security Information

(S)-Cbz-3-Amino-3-phenylpropan-1-ol Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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(S)-Cbz-3-Amino-3-phenylpropan-1-ol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ;  0 °C; 1 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Acetone ,  Water ;  rt
Reference
Structure-Based Design and Development of Chemical Probes Targeting Putative MOR-CCR5 Heterodimers to Inhibit Opioid Exacerbated HIV-1 Infectivity
Huang, Boshi; Wang, Huiqun; Zheng, Yi; Li, Mengchu; Kang, Guifeng; et al, Journal of Medicinal Chemistry, 2021, 64(11), 7702-7723

Production Method 2

Reaction Conditions
1.1 Reagents: Borate(1-), amidotrihydro-, lithium, (T-4)- Solvents: Tetrahydrofuran ;  0 °C
Reference
A general and enantiodivergent method for the asymmetric synthesis of piperidine alkaloids: concise synthesis of (R)-pipecoline, (S)-coniine and other 2-alkylpiperidines
Etxebarria, Juan; Vicario, Jose L.; Badia, Dolores; Carrillo, Luisa, Tetrahedron, 2007, 63(46), 11421-11428

Production Method 3

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  15 min, -78 °C
1.2 Reagents: Ammonia borane ;  15 min, 0 °C; 15 min, rt
1.3 Solvents: Tetrahydrofuran ;  2 h, 0 °C
1.4 Reagents: Hydrochloric acid Solvents: Water
Reference
(S,S)-(+)-Pseudoephedrine as chiral auxiliary in asymmetric aza-Michael reactions. Unexpected selectivity change when manipulating the structure of the auxiliary
Etxebarria, Juan; Vicario, Jose L.; Badia, Dolores; Carrillo, Luisa; Ruiz, Nerea, Journal of Organic Chemistry, 2005, 70(22), 8790-8800

Production Method 4

Reaction Conditions
1.1 Reagents: Water Solvents: Acetonitrile ;  75 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Highly Efficient, Enantioselective Syntheses of (S)-(+)- and (R)-(-)-Dapoxetine Starting with 3-Phenyl-1-propanol
Kang, Soyeong; Lee, Hyeon-Kyu, Journal of Organic Chemistry, 2010, 75(1), 237-240

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium periodate Catalysts: Osmium tetroxide Solvents: Diethyl ether ,  Water ;  16 h, rt
1.2 Reagents: Sodium borohydride Solvents: Methanol ;  0 °C
1.3 Reagents: Ammonium chloride Solvents: Water
Reference
Syntheses of a Flobufen Metabolite and Dapoxetine Based on Enantioselective Allylation of Aromatic Aldehydes
Hessler, Filip; Korotvicka, Ales; Necas, David; Valterova, Irena; Kotora, Martin, European Journal of Organic Chemistry, 2014, 2014(12), 2543-2548

(S)-Cbz-3-Amino-3-phenylpropan-1-ol Raw materials

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