Cas no 79107-75-8 ((3S)-thiolan-3-ol)

(3S)-thiolan-3-ol structure
(3S)-thiolan-3-ol structure
Product Name:(3S)-thiolan-3-ol
CAS No:79107-75-8
MF:C4H8OS
MW:104.170720100403
MDL:MFCD00798268
CID:562875
PubChem ID:10103130
Update Time:2024-03-01

(3S)-thiolan-3-ol Chemical and Physical Properties

Names and Identifiers

    • Thiophene-3-ol,tetrahydro-, (3S)-
    • (S)-tetrahydrofuran-3-ol
    • 3-Hydroxymethyl-4-Boc morpholine
    • (S)-3-hydroxytetrahydrothiophene
    • (S)-tetrahydrothiophene-3-ol
    • 3 -hydroxymethyl-morpholine-4-carboxylic acid tert-butyl ester
    • 3(S)-Hydroxymethyl-4-t-butoxycarbonylmorpholine
    • 3(S)-hydroxytetrahydrothiophene
    • 3-(S)-hydroxytetrahydrothiophene
    • 4-BOC-3-hydroxymethylmorpholine
    • AC1NMWKD
    • AG-F-61272
    • N-BOC-3-hydroxymethylmorpholine
    • SureCN305110
    • (3S)-thiolan-3-ol
    • 79107-75-8
    • rac-(3R)-thiolan-3-ol
    • AKOS006271426
    • S-3-Hydroxytetrahydrothiophene
    • MFCD00798268
    • EN300-266366
    • ZB1399
    • SS-5124
    • (S)-tetrahydrothiophen-3-ol
    • Thiophene-3-ol, tetrahydro-, (S)-
    • SCHEMBL3924268
    • (3S)-Tetrahydrothiophene-3-ol
    • (3S)-Tetrahydrothiophene-3-ol (ACI)
    • Thiophene-3-ol, tetrahydro-, (S)- (ZCI)
    • MDL: MFCD00798268
    • Inchi: 1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1
    • InChI Key: BJYXNFYVCZIXQC-BYPYZUCNSA-N
    • SMILES: O[C@@H]1CSCC1

Computed Properties

  • Exact Mass: 104.02958605g/mol
  • Monoisotopic Mass: 104.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 46.8
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 45.5?2

Experimental Properties

  • Density: 1.103?g/mL?at 25?°C(lit.)
  • Boiling Point: 80?°C15?mm Hg(lit.)
  • Flash Point: 175?°F
  • Refractive Index: n20/D 1.45(lit.)
  • PSA: 29.46000
  • LogP: -0.23240

(3S)-thiolan-3-ol Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:26

(3S)-thiolan-3-ol Pricemore >>

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(3S)-thiolan-3-ol Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Alcohol dehydrogenase
Reference
Enzymes in organic syntheses. 19. Evaluation of the stereoselectivities of horse liver alcohol dehydrogenase; catalyzed oxidoreductions of hydroxy- and ketothiolanes, -thianes, and -thiepanes
Jones, J. Bryan; Schwartz, Harold M., Canadian Journal of Chemistry, 1981, 59(11), 1574-9

Production Method 2

Reaction Conditions
1.1 Reagents: Bis[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane Solvents: Tetrahydrofuran
1.2 Reagents: Acetaldehyde
1.3 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Tetrahydrofuran
Reference
Chiral synthesis via organoboranes. 6. Hydroboration. 74. Asymmetric hydroboration of representative heterocyclic olefins with diisopinocampheylborane. Synthesis of heterocyclic boronates and heterocyclic alcohols of very high enantiomeric purity
Brown, Herbert C.; Prasad, J. V. N. Vara, Journal of the American Chemical Society, 1986, 108(8), 2049-54

Production Method 3

Reaction Conditions
1.1 Catalysts: NADPH ,  Alcohol dehydrogenase
Reference
Catalytic Asymmetric Reduction of Difficult-to-Reduce Ketones: Triple-Code Saturation Mutagenesis of an Alcohol Dehydrogenase
Sun, Zhoutong; Lonsdale, Richard; Ilie, Adriana; Li, Guangyue; Zhou, Jiahai; et al, ACS Catalysis, 2016, 6(3), 1598-1605

Production Method 4

Reaction Conditions
1.1 Reagents: Disodium sulfide Solvents: Acetonitrile ;  14 h, rt
Reference
Synthesis of a variety of optically active hydroxylated heterocyclic compounds using epoxide hydrolase technology
Pienaar, Daniel P.; Mitra, Robin K.; van Deventer, Thomas I.; Botes, Adriana L., Tetrahedron Letters, 2008, 49(48), 6752-6755

Production Method 5

Reaction Conditions
1.1 Reagents: NADPH Catalysts: Short-chain dehydrogenase/reductase SDR Solvents: Isopropanol ,  Water ;  12 h, pH 7, 30 °C
Reference
Enantioselective Regulation of Short-Chain Dehydrogenases via Key Sites in its Loop and Adjacent Regions for the Enantiodivergent Reduction of Difficult-To-Reduce Ketones
Qin, Lei; Su, Xin; Wang, Jun; Wu, Lunjie ; Zou, Man; et al, Advanced Synthesis & Catalysis, 2023, 365(23), 4205-4215

Production Method 6

Reaction Conditions
1.1 Solvents: Isopropanol ,  Water ;  12 h, pH 7, 30 °C
Reference
Regulating the stereoselectivity of medium-chain dehydrogenase/reductase by creating an additional active pocket accommodating prochiral heterocyclic ketones
Qin, Lei; Su, Xin; Wang, Jun; Wu, Lunjie; Zou, Man; et al, Chemical Communications (Cambridge, 2023, 59(87), 13042-13045

(3S)-thiolan-3-ol Raw materials

(3S)-thiolan-3-ol Preparation Products

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