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4-Cyano-3-methoxybenzoic acid

Base Information Edit
  • Chemical Name:4-Cyano-3-methoxybenzoic acid
  • CAS No.:102362-00-5
  • Molecular Formula:C9H7NO3
  • Molecular Weight:177.159
  • Hs Code.:
  • European Community (EC) Number:850-063-0
  • Mol file:102362-00-5.mol
4-Cyano-3-methoxybenzoic acid

Synonyms:4-Cyano-3-methoxybenzoic acid;102362-00-5;MFCD18203531;Benzoic acid, 4-cyano-3-methoxy-;4-Cyano-3-methoxybenzoicacid;SCHEMBL1757097;MBHJRZMASFIJBE-UHFFFAOYSA-N;AKOS025287170;AB11029;AS-44515;SY164385;CS-0186999;EN300-192111;Z1255464361

Suppliers and Price of 4-Cyano-3-methoxybenzoic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 4-Cyano-3-methoxybenzoicAcid
  • 50mg
  • $ 175.00
  • TRC
  • 4-Cyano-3-methoxybenzoicAcid
  • 100mg
  • $ 285.00
  • Matrix Scientific
  • 4-Cyano-3-methoxybenzoic acid
  • 1g
  • $ 736.00
  • Matrix Scientific
  • 4-Cyano-3-methoxybenzoic acid
  • 5g
  • $ 2550.00
  • Crysdot
  • 4-Cyano-3-methoxybenzoicacid 95+%
  • 5g
  • $ 1971.00
  • Crysdot
  • 4-Cyano-3-methoxybenzoicacid 95+%
  • 1g
  • $ 657.00
  • Biosynth Carbosynth
  • 4-Cyano-3-methoxybenzoic acid
  • 500 mg
  • $ 500.00
  • Biosynth Carbosynth
  • 4-Cyano-3-methoxybenzoic acid
  • 250 mg
  • $ 350.00
  • Biosynth Carbosynth
  • 4-Cyano-3-methoxybenzoic acid
  • 100 mg
  • $ 180.00
  • Biosynth Carbosynth
  • 4-Cyano-3-methoxybenzoic acid
  • 25 mg
  • $ 75.00
Total 12 raw suppliers
Chemical Property of 4-Cyano-3-methoxybenzoic acid Edit
Chemical Property:
  • Boiling Point:394.3±27.0 °C(Predicted) 
  • PKA:3.42±0.10(Predicted) 
  • PSA:70.32000 
  • Density:1.32±0.1 g/cm3(Predicted) 
  • LogP:1.26508 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:2
  • Exact Mass:177.042593085
  • Heavy Atom Count:13
  • Complexity:243
Purity/Quality:

99%, *data from raw suppliers

4-Cyano-3-methoxybenzoicAcid *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC1=C(C=CC(=C1)C(=O)O)C#N
Technology Process of 4-Cyano-3-methoxybenzoic acid

There total 8 articles about 4-Cyano-3-methoxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
4-Cyano-3-methoxy-benzoic acid methyl ester; With methanol; sodium hydroxide; water; at 20 ℃;
With hydrogenchloride; In water;
Guidance literature:
Multi-step reaction with 4 steps
1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / ethyl acetate / Heating / reflux
2: sodium hydrogencarbonate / dimethyl sulfoxide / 3 h / 50 °C
3: formic acid; hydroxylamine hydrochloride / 25 h / 20 - 50 °C
4: methanol; sodium hydroxide; water / 20 °C
With methanol; sodium hydroxide; N-Bromosuccinimide; formic acid; 2,2'-azobis(isobutyronitrile); hydroxylamine hydrochloride; water; sodium hydrogencarbonate; In dimethyl sulfoxide; ethyl acetate;
Guidance literature:
Multi-step reaction with 4 steps
1.1: bromine / dichloromethane / 6 h / 0 °C
2.1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 50 °C
2.2: 10 h / 0 - 20 °C
3.1: copper(l) iodide; potassium iodide / N,N-dimethyl-formamide / 8 h / 140 °C / Inert atmosphere
4.1: sodium hydroxide / methanol / 1 h / 80 °C
With copper(l) iodide; bromine; potassium carbonate; potassium iodide; sodium hydroxide; In methanol; dichloromethane; N,N-dimethyl-formamide; 3.1: |Rosenmund-van Braun Cyanation;
DOI:10.1039/c6tc00153j
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