Cas no 96047-32-4 (3-Fluoro-4-methoxybenzyl Alcohol)

3-Fluoro-4-methoxybenzyl Alcohol structure
96047-32-4 structure
Product Name:3-Fluoro-4-methoxybenzyl Alcohol
CAS No:96047-32-4
MF:C8H9FO2
MW:156.154266119003
MDL:MFCD00070642
CID:800020
PubChem ID:2774550
Update Time:2024-10-25

3-Fluoro-4-methoxybenzyl Alcohol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol,3-fluoro-4-methoxy-
    • (3-fluoro-4-methoxyphenyl)methanol
    • 3-FLUORO-4-METHOXYBENZYL ALCOHOL
    • 3-Fluoro-4-methoxyphenylmethanol
    • 3-Fluoro-4-methoxybenzenemethanol (ACI)
    • AKOS000124779
    • CS-0194748
    • MFCD00070642
    • PS-6575
    • DTXSID50379096
    • DB-088963
    • 3-Fluoro-4-methoxyphenyl)methanol
    • 3-Fluoro-4-methoxy-benzenemethanol
    • HHWYYUUOGAUCKX-UHFFFAOYSA-N
    • 96047-32-4
    • SCHEMBL2382627
    • EN300-129080
    • SB83882
    • E89373
    • Z228585772
    • (3-fluoro-4-methoxy-phenyl)methanol
    • 3-Fluoro-4-methoxybenzyl Alcohol
    • MDL: MFCD00070642
    • Inchi: 1S/C8H9FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
    • InChI Key: HHWYYUUOGAUCKX-UHFFFAOYSA-N
    • SMILES: FC1C(OC)=CC=C(CO)C=1

Computed Properties

  • Exact Mass: 156.05900
  • Monoisotopic Mass: 156.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 119
  • 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
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 251.4±25.0 °C at 760 mmHg
  • Flash Point: 122.7±19.7 °C
  • Refractive Index: 1.51
  • PSA: 29.46000
  • LogP: 1.32660
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

3-Fluoro-4-methoxybenzyl Alcohol Security Information

3-Fluoro-4-methoxybenzyl Alcohol Customs Data

  • HS CODE:2909499000
  • Customs Data:

    China Customs Code:

    2909499000

    Overview:

    2909499000 Other ether alcohols and their halogenation\sulfonation\Nitrosative or nitrosative derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

3-Fluoro-4-methoxybenzyl Alcohol Pricemore >>

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3-Fluoro-4-methoxybenzyl Alcohol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trimethyl borate ,  (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ;  0 °C → rt; overnight, rt; rt → 0 °C
1.2 Solvents: Methanol
Reference
Preparation of quinoline compounds as antibacterial agents and uses thereof
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ;  cooled; 60 min, rt
Reference
Design, synthesis and in vitro/vivo anticancer activity of 4-substituted 7-(3-fluoro-4-methoxybenzyl)-7H-pyrrolo[2,3-d]pyrimidines
Tsai, Pei-Yi; Hu, Gong-Siang; Huang, Po-Hsun; Jheng, Huei-Lin; Lan, Chi-Hsuan; et al, Journal of the Chinese Chemical Society (Weinheim, 2021, 68(9), 1761-1770

Production Method 3

Reaction Conditions
1.1 Reagents: Aluminum chloride ,  Lithium aluminum hydride Solvents: Diethyl ether
Reference
Potential antidepressants: 3-methyl-6-dimethylamino-1,2-diphenylhexan-3-ol and related compounds
Cervena, Irena; Holubek, Jiri; Svatek, Emil; Valchar, Martin; Protiva, Miroslav, Collection of Czechoslovak Chemical Communications, 1987, 52(10), 2564-71

Production Method 4

Reaction Conditions
Reference
Mechanochemical Palladium-Catalyzed Oxidative Esterification of Alcohols
van Bonn, Pit; Dressler, Daniela; Weitenhagen, Fabian; Bolm, Carsten, ACS Sustainable Chemistry & Engineering, 2022, 10(4), 1361-1366

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ;  2 h, rt
Reference
Synthesis and Biological Evaluation of 1,2,3-triazole tethered Pyrazoline and Chalcone Derivatives
Hussaini, Syed Mohammed Ali; Yedla, Poornachandra; Babu, Korrapati Suresh; Shaik, Thokhir B.; Chityal, Ganesh Kumar; et al, Chemical Biology & Drug Design, 2016, 88(1), 97-109

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ;  2 h, rt
Reference
Anti-tubercular agents. Part 8: synthesis, antibacterial and antitubercular activity of 5-nitrofuran based 1,2,3-triazoles
Kamal, Ahmed; Hussaini, Syed Mohammed Ali; Faazil, Shaikh; Poornachandra, Y.; Narender Reddy, G.; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(24), 6842-6846

Production Method 7

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Tetrahydrofuran ;  30 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  15 min
Reference
Preparation of pyridinylaminoalkoxybenzenes and pyridinylalkoxybenzenes as αvβ3 and/or αvβ5 integrin antagonists
, United States, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Trimethyl borate ,  (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ;  0 °C → rt; overnight, rt; rt → 0 °C
1.2 Reagents: Methanol ;  0 °C
Reference
3,5-Dialkoxypyridine analogues of bedaquiline are potent antituberculosis agents with minimal inhibition of the hERG channel
Sutherland, Hamish S.; Tong, Amy S. T.; Choi, Peter J.; Blaser, Adrian ; Conole, Daniel; et al, Bioorganic & Medicinal Chemistry, 2019, 27(7), 1292-1307

Production Method 9

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  30 min, 0 °C; 5 h, rt; rt → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Diethyl ether ,  Water ;  15 min, 0 °C
Reference
Pharmaceutical compositions containing sulfonamides as transient receptor potential channel 8 (TRPM8) blockers or their prodrugs
, Japan, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Isopropanol ;  12 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  neutralized
Reference
Stereoselective synthesis of bromine- and fluorine-substituted (S)-tyrosines and N-BOC-protected derivatives
Sagiyan, A. S.; Babayan, E. P.; Geolchanyan, A. V.; Oganesyan, A. M.; Pripadchev, D. A.; et al, Hayastani Kimiakan Handes, 2007, 60(1), 61-72

Production Method 11

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Tetrahydrofuran ;  30 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  15 min
Reference
Preparation of pyridinylaminoalkoxybenzenes and pyridinylalkoxybenzenes as αvβ3 integrin antagonists
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Production Method 12

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Ethanol ,  Tetrahydrofuran ;  2 h, 0 °C
Reference
Benzimidazolone derivatives, method of preparation and their use as phosphodiesterase inhibitors
, World Intellectual Property Organization, , ,

Production Method 13

Reaction Conditions
Reference
Preparation of hydroxyethoxybenzamide derivatives as dopamine D2 receptor blocker and 5-HT4 receptor stimulator
, World Intellectual Property Organization, , ,

Production Method 14

Reaction Conditions
Reference
Preparation process and effect of pyrimidine-5-carboxamides as cGMP phosphodiesterase inhibitors for circulatory and allergic diseases and sexual dysfunction remedies
, World Intellectual Property Organization, , ,

Production Method 15

Reaction Conditions
Reference
Preparation of N-(3-fluorobenzyl)heterocyclic derivatives and their use as pesticides.
, European Patent Organization, , ,

Production Method 16

Reaction Conditions
Reference
Phenol derivatives
, European Patent Organization, , ,

3-Fluoro-4-methoxybenzyl Alcohol Raw materials

3-Fluoro-4-methoxybenzyl Alcohol Preparation Products

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