(S)-(+)-3-Hydroxytetrahydrofuran

Iupac Name：(3S)-oxolan-3-ol

Molecular Weight：88.11

Modify Date.: 2022-11-22 16:51

Introduction: Amprenavir and Fosamprenavir intermediate (S)-(+)-3-Hydroxytetrahydrofuran Preparation Products And Raw materials Raw materials View more+

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1. Names and Identifiers

1.1 Name: (S)-(+)-3-Hydroxytetrahydrofuran
1.2 Synonyms: (+)-3-Hydroxytetrahydrofuran (2S)-1,4-Epoxy-2-hydroxybutane, (3S)-Tetrahydrofuran-3-ol, (3S)-Oxolan-3-ol (3S)-oxolan-3-ol (3S)-Tetrahydro-3-furanol (3S)-Tetrahydrofuran-3-ol (S)-(-)-3-HYDROXY TETRAHYDRO FURAN (S)-(+)-3-HYDROXY TETAHYDRO FURAN (S)-(+)-TETRAHYDRO-3-FURANOL (S)-(+)-Tetrahydrofuran-3-ol (S)-3-Hydroxytetrahydrofuran (S)-Tetrahydro-3-furanol (S)-TETRAHYDROFURAN-3-OL 3-Furanol tetrahydro-, (3S)- 3-Furanol, tetrahydro-, (3S)- 3-Furanol, tetrahydro-, (S)- 3S-Hydroxytetrahydrofuran Afatinib intermediate B

1.3 CAS No.: 86087-23-2

1.4 CID: 2733227

1.5 EINECS(EC#): 425-090-2; 617-795-0

1.6 Molecular Formula: C4H8O2 (isomer)

1.7 Inchi: InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1

1.8 InChkey: XDPCNPCKDGQBAN-BYPYZUCNSA-N

1.9 Canonical Smiles: C1COCC1O

1.10 Isomers Smiles: C1COC[C@H]1O

2. Properties

2.1 Density: 1.103 g/mL at 25 °C(lit.)

2.1 Boiling point: 80 °C15 mm Hg(lit.)

2.1 Refractive index: n20/D 1.45(lit.)

2.1 Flash Point: 175 °F

2.1 Precise Quality: 88.05240

2.1 PSA: 29.46000

2.1 logP: -0.23240

2.1 Appearance: Clear colorless to pale yellow Liquid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: Colourless Liquid

2.4 Color/Form: Colorless to Yellow Liquid

2.5 pKa: 14.49±0.20(Predicted)

2.6 Water Solubility: soluble

2.7 Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

2.8 StorageTemp: Refrigerator

3. Use and Manufacturing

3.1 Usage: Amprenavir and Fosamprenavir intermediate (S)-(+)-3-Hydroxytetrahydrofuran Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Symbol: GHS07;

4.1 Hazard Codes: Xi

4.1 Signal Word: Warning

4.1 Risk Statements: 36/37/38

4.1 Safety Statements: 26-37/39

4.1 Hazard Declaration: H315; H319; H335

4.1 RIDADR: NA 1993 / PGIII

4.1 Caution Statement: P261-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 Safety: Safety Information of (S)-(+)-3-Hydroxytetrahydrofuran (CAS NO.86087-23-2):
Hazard Codes: Xi
Risk Statements: 36/37/38???
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

4.2 Specification: ?(S)-(+)-3-Hydroxytetrahydrofuran , its CAS NO. is 86087-23-2, the synonyms are (3S)-tetrahydrofuran-3-ol? ; (S)-(+)-Tetrahydro-3-furanol .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 400 MHz in CDCl3

1H NMR : Predict

IR : liquid film

Mass

7. Synthesis Route

86087-23-2Total: 10 Synthesis Route

453-20-3 106 Suppliers

86087-24-3 138 Suppliers

86087-23-2 294 Suppliers

Literatures:
Tetrahedron Asymmetry, , vol. 11, # 23 p. 4781 - 4790
Yield: null

778-29-0

86087-24-3 138 Suppliers

86087-23-2 294 Suppliers

Literatures:
Tetrahedron Asymmetry, , vol. 23, # 11-12 p. 898 - 903
Yield: null

1191-99-7 180 Suppliers

86087-23-2 294 Suppliers

Literatures:
Journal of the American Chemical Society, , vol. 108, # 8 p. 2049 - 2054
Yield: null

View all

8. Precursor and Product

precursor:

167971-73-5

86087-24-3

139013-68-6

1191-99-7

1708-29-8

778-29-0

27999-96-8

145873-44-5

42890-76-6

453-20-3

product :

112052-11-6

160231-69-6

138499-08-8

9. Computational chemical data

Molecular Weight: 88.11g/mol
Molecular Formula: C₄H₈O₂
Compound Is Canonicalized: True
XLogP3-AA: -0.4
Exact Mass: 88.052429494
Monoisotopic Mass: 88.052429494
Complexity: 44.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 29.5
Heavy Atom Count: 6
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAACQAAFAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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cas 86087-23-2 S-3-hydroxytetrahydrofuran C4H8O2