Cas no 944261-79-4 (5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide)

5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide structure
944261-79-4 structure
Product Name:5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide
CAS No:944261-79-4
MF:C19H16ClNO4
MW:357.787644386292
MDL:MFCD10574689
CID:796973
PubChem ID:329770815
Update Time:2024-10-25

5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide Chemical and Physical Properties

Names and Identifiers

    • 2-Furancarboxamide,5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-
    • 5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-
    • A-803467
    • 5-(4-Chlorophenyl)-furan-2-carboxylic acid 3,5 -dimethoxyphenylamide
    • 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-Furancarboxamide
    • 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
    • A 803467
    • 5-4(-Chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
    • 5-(4-Chlorophenyl)furan-2-carboxylic acid 3,5-dimethoxyphenylamide
    • A803467
    • C19H16ClNO4
    • 339LBH1395
    • MLS006011118
    • GTPL5734
    • AOB2888
    • HMS3742E19
    • HMS3656L08
    • BCP04519
    • 2-Furancarboxamide, 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-
    • BN0738
    • ABP001000
    • s2785
    • BD
    • 5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide (ACI)
    • DTXCID90163971
    • CS-0748
    • MFCD10574689
    • AKOS024457363
    • SB19562
    • AC-35826
    • AS-55982
    • A-803467, >=98% (HPLC)
    • BCP9000209
    • DTXSID90241480
    • J-516232
    • 95T
    • CCG-268128
    • 944261-74-9
    • BCP0726000063
    • 944261-79-4
    • UNII-339LBH1395
    • SCHEMBL9275137
    • DB-079877
    • GLXC-04999
    • EX-A083
    • NCGC00346700-01
    • HB1007
    • HY-11079
    • SMR004702899
    • HMS3884N16
    • 5-(4-chlorophenyl)-~{N}-(3,5-dimethoxyphenyl)furan-2-carboxamide
    • Q27074084
    • SW220277-1
    • A-803467?
    • BRD-K28570407-001-02-0
    • CHEMBL250699
    • 5-(4-Chlorophenyl)-furan-2-carboxylic acid 3,5 -dimethoxyphenylamide
    • BDBM50212239
    • 5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide
    • MDL： MFCD10574689
    • Inchi： 1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
    • InChI Key： VHKBTPQDHDSBSP-UHFFFAOYSA-N
    • SMILES： O=C(C1=CC=C(C2C=CC(Cl)=CC=2)O1)NC1C=C(OC)C=C(OC)C=1

Computed Properties

  • Exact Mass: 357.07700
  • Monoisotopic Mass: 357.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 429
  • 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: 60.7
  • XLogP3: 4.4

Experimental Properties

  • Color/Form: No data available
  • Density: 1.294g/cm3
  • Melting Point: 128-130?C
  • Boiling Point: 450.6°C at 760 mmHg
  • Flash Point: 226.3±28.7 °C
  • Refractive Index: 1.611
  • Solubility: DMSO: >10mg/mL
  • PSA: 60.70000
  • LogP: 4.94250

5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Safety Instruction： H302
  • Hazardous Material Identification： Xn
  • Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
  • Risk Phrases：R22

5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide Customs Data

  • HS CODE：2932190090
  • Customs Data：

    China Customs Code:

    2932190090

    Overview:

    2932190090 Other structurally non fused furan ring compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  2 h, rt
1.2 Reagents: Triethylamine Solvents: Dichloromethane ;  2 h, rt
Reference
Discovery and Biological Evaluation of 5-Aryl-2-furfuramides, Potent and Selective Blockers of the Nav1.8 Sodium Channel with Efficacy in Models of Neuropathic and Inflammatory Pain
Kort, Michael E.; Drizin, Irene; Gregg, Robert J.; Scanio, Marc J. C.; Shi, Lei; et al, Journal of Medicinal Chemistry, 2008, 51(3), 407-416

Production Method 2

Reaction Conditions
1.1 Solvents: Isopropanol ,  Water ;  24 h, pH 7.8, rt
1.2 Reagents: Sodium tert-butoxide Catalysts: Glucose ,  Copper bromide (CuBr2) ,  (R,R)-N,N′-Dimethyl-1,2-cyclohexanediamine ;  24 h, 50 °C
Reference
Merging enzymes with chemocatalysis for amide bond synthesis
Bering, Luis; Craven, Elliott J.; Sowerby Thomas, Stanley A.; Shepherd, Sarah A. ; Micklefield, Jason, Nature Communications, 2022, 13(1),

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide Catalysts: Di-μ-chlorobis[(1,2,3-η)-1-phenyl-2-propen-1-yl]dipalladium ,  Bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphin… ,  Poly(oxy-1,2-ethanediyl), α-[4-[[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trime… Solvents: Water ;  16 h, 50 °C
Reference
t-BuXPhos: a highly efficient ligand for Buchwald-Hartwig coupling in water
Wagner, Patrick; Bollenbach, Maud; Doebelin, Christelle; Bihel, Frederic; Bourguignon, Jean-Jacques; et al, Green Chemistry, 2014, 16(9), 4170-4178

5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide Raw materials

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Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:944261-79-4)5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide
Order Number:A847273
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:14
Price ($):591.0

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Amadis Chemical Company Limited
(CAS:944261-79-4)5-(4-Chlorophenyl)-N-(3,5-dimethoxyphenyl)-2-furancarboxamide
A847273
Purity:99%
Quantity:1g
Price ($):591.0
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