Cas no 887572-60-3 (5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid)

5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid structure
887572-60-3 structure
Product Name:5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid
CAS No:887572-60-3
MF:C9H8N2O3
MW:192.1714220047
MDL:MFCD09261054
CID:713054
PubChem ID:22350158
Update Time:2024-10-26

5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methoxy-1H-benzo[d]imidazole-2-carboxylic acid
    • 1H-Benzimidazole-2-carboxylicacid, 6-methoxy-
    • 5-METHOXY-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID
    • 6-methoxy-1H-Benzimidazole-2-carboxylic acid
    • 5-methoxy-1H-benzimidazole-2-carboxylic acid
    • 5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid
    • 1H-Benzimidazole-2-carboxylic acid, 5-methoxy- (9CI)
    • 6-Methoxy-1H-benzimidazole-2-carboxylic acid (ACI)
    • DTXSID60625137
    • F2199-0496
    • 5-METHOXY-1H-BENZOIMIDAZOLE-2-CARBOXYLICACID
    • BBL022544
    • SY128154
    • 887572-60-3
    • DA-19297
    • 5-methoxy-1H-benzo[d]imidazole-2-carboxylicacid
    • 5-Methoxybenzimidazole-2-carboxylic Acid
    • VS-07223
    • MFCD09261054
    • AKOS006332189
    • STL199542
    • EN300-733044
    • GYPYWLKJBRSMIM-UHFFFAOYSA-N
    • 5-methoxybenzimidazole-2-carboxylic acid, AldrichCPR
    • J-517660
    • 6-methoxy-1H-benzoimidazole-2-carboxylic acid
    • SCHEMBL4806950
    • MDL: MFCD09261054
    • Inchi: 1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
    • InChI Key: GYPYWLKJBRSMIM-UHFFFAOYSA-N
    • SMILES: O=C(C1NC2C(=CC=C(C=2)OC)N=1)O

Computed Properties

  • Exact Mass: 192.05300
  • Monoisotopic Mass: 192.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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
  • XLogP3: 0.8
  • Topological Polar Surface Area: 75.2A^2

Experimental Properties

  • Density: 1.459±0.06 g/cm3 (20 oC 760 Torr)
  • Melting Point: 152-154℃ (ethanol )
  • Boiling Point: 468.8°C at 760 mmHg
  • Flash Point: 237.322°C
  • Refractive Index: 1.689
  • PSA: 75.21000
  • LogP: 1.26970

5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  4 h, 160 °C
Reference
Synthesis and in vitro opioid receptor functional antagonism of analogues of the selective kappa opioid receptor antagonist (3R)-7-Hydroxy-N-((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (JDTic)
Cai, Tingwei Bill; Zou, Zhou; Thomas, James B.; Brieaddy, Larry; Navarro, Hernan A.; et al, Journal of Medicinal Chemistry, 2008, 51(6), 1849-1860

Production Method 2

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)
Reference
Synthesis and evaluation of selected benzimidazole derivatives as potential antimicrobial agents
Alasmary, Fatmah A. S.; Snelling, Anna M.; Zain, Mohammed E.; Alafeefy, Ahmed M.; Awaad, Amani S.; et al, Molecules, 2015, 20(8), 15206-15223

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Water ;  reflux; heated
1.2 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water ;  1 h, heated; cooled
1.3 Reagents: Acetic acid Solvents: Water ;  neutralized
Reference
Synthesis and anti-inflammatory activity of some benzimidazole-2-carboxylic acids
Thakurdesai, Prasad A.; Wadodkar, Sudhir G.; Chopade, Chandrabhan T., Pharmacologyonline, 2007, (1), 314-329

5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid Raw materials

5-methoxy-1H-1,3-benzodiazole-2-carboxylic acid Preparation Products

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