Cas no 84315-24-2 (3-(3,5-Difluorophenyl)propionic acid)

3-(3,5-Difluorophenyl)propionic acid structure
84315-24-2 structure
Product Name:3-(3,5-Difluorophenyl)propionic acid
CAS No:84315-24-2
MF:C9H8F2O2
MW:186.155429840088
MDL:MFCD04116054
CID:707189
PubChem ID:3669498
Update Time:2024-10-26

3-(3,5-Difluorophenyl)propionic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3,5-Difluorophenyl)propionic acid
    • 3-(3,5-Difluorophenyl)propanoic acid
    • 5,7-difluoro-2,3-dihydro-1H-inden-1-one
    • Benzenepropanoic acid,3,5-difluoro-
    • Benzenepropanoic acid, 3,5-difluoro-
    • 3-(3,5-Difluoro-phenyl)-propionic acid
    • 3-(3,5-Difluorophenyl)propionicAcid
    • SAAKANGUQMVTHQ-UHFFFAOYSA-N
    • 3,5-Difluoro-benzenepropanoic acid
    • SBB090378
    • TRA0036483
    • 3-(3,5-difluoro-phenyl)propionic acid
    • 3-(3',5'-Difluorophenyl)p
    • 3,5-Difluorobenzenepropanoic acid (ACI)
    • 3,5-Difluorohydrocinnamic acid
    • CS-W016917
    • SY017165
    • EN300-1856278
    • AB7022
    • DTXSID40394859
    • 3-(3,5-Difluorophenyl)propionic acid, 97%
    • 84315-24-2
    • AKOS013153635
    • CS-11359
    • MFCD04116054
    • SCHEMBL1448093
    • MDL: MFCD04116054
    • Inchi: 1S/C9H8F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)
    • InChI Key: SAAKANGUQMVTHQ-UHFFFAOYSA-N
    • SMILES: O=C(CCC1C=C(F)C=C(F)C=1)O

Computed Properties

  • Exact Mass: 186.04900
  • Monoisotopic Mass: 186.049
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 175
  • 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: 37.3
  • XLogP3: 1.9

Experimental Properties

  • Melting Point: 59-61?°C
  • Boiling Point: 260.8±25.0℃ at 760 mmHg
  • PSA: 37.30000
  • LogP: 1.98200

3-(3,5-Difluorophenyl)propionic acid Security Information

3-(3,5-Difluorophenyl)propionic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(3,5-Difluorophenyl)propionic acid Pricemore >>

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3-(3,5-Difluorophenyl)propionic acid Production Method

Production Method 1

Reaction Conditions
Reference
Dopamine-β-hydroxylase inhibitors
, European Patent Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Water Solvents: Acetonitrile ;  5 min, rt → 120 °C; 0.5 h, 150 psi, 120 °C
Reference
Efficient synthesis of halo indanones via chlorosulfonic acid mediated Friedel-Crafts cyclization of aryl propionic acids and their use in alkylation reactions
Sharma, Anil K.; et al, Tetrahedron, 2007, 63(2), 389-395

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethanol ,  Water
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Epoxidation with dioxiranes derived from 2-fluoro-2-substituted-1-tetralones and -1-indanones
Brown, David S.; et al, Tetrahedron, 1995, 51(12), 3587-606

Production Method 4

Reaction Conditions
Reference
Dopamine-β-hydroxylase inhibitors
, European Patent Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl acetate
2.1 Reagents: Potassium hydroxide Solvents: Ethanol ,  Water
2.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Epoxidation with dioxiranes derived from 2-fluoro-2-substituted-1-tetralones and -1-indanones
Brown, David S.; et al, Tetrahedron, 1995, 51(12), 3587-606

Production Method 6

Reaction Conditions
1.1 -
2.1 Catalysts: Pyridine
3.1 -
Reference
Dopamine β-hydroxylase inhibitors
, European Patent Organization, , ,

Production Method 7

Reaction Conditions
Reference
Dopamine β-hydroxylase inhibitors
, European Patent Organization, , ,

Production Method 8

Reaction Conditions
1.1 Catalysts: Pyridine
2.1 -
Reference
Dopamine β-hydroxylase inhibitors
, European Patent Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Triethylammonium formate
2.1 Reagents: Water Solvents: Acetonitrile ;  5 min, rt → 120 °C; 0.5 h, 150 psi, 120 °C
Reference
Efficient synthesis of halo indanones via chlorosulfonic acid mediated Friedel-Crafts cyclization of aryl propionic acids and their use in alkylation reactions
Sharma, Anil K.; et al, Tetrahedron, 2007, 63(2), 389-395

Production Method 10

Reaction Conditions
1.1 Solvents: Dichloromethane
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl acetate
3.1 Reagents: Potassium hydroxide Solvents: Ethanol ,  Water
3.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Epoxidation with dioxiranes derived from 2-fluoro-2-substituted-1-tetralones and -1-indanones
Brown, David S.; et al, Tetrahedron, 1995, 51(12), 3587-606

3-(3,5-Difluorophenyl)propionic acid Raw materials

3-(3,5-Difluorophenyl)propionic acid Preparation Products

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