Cas no 90812-66-1 (4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester)

4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester structure
90812-66-1 structure
Product Name:4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester
CAS No:90812-66-1
MF:C10H10O5
MW:210.183403491974
MDL:MFCD09037211
CID:788402
PubChem ID:13816151
Update Time:2024-12-09

4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(carboxymethoxy)-, 1-methyl ester
    • 2-(4-(methoxycarbonyl)phenoxy)acetic acid
    • 4-(CarboxyMethoxy)-benzoic acid Methyl ester
    • 1-Methyl 4-(carboxymethoxy)benzoate (ACI)
    • 4-Carboxymethoxybenzoic acid methyl ester
    • 4-Methoxycarbonylphenoxyacetic acid
    • DA-01233
    • 2-[4-(methoxycarbonyl)phenoxy]acetic acid
    • MFCD09037211
    • AKOS004120704
    • 2-(4-methoxycarbonylphenoxy)acetic acid
    • 4-(Carboxymethoxy)-benzoic acid 1-methyl ester
    • 4-carboxymethoxy-benzoic acid methyl ester
    • SCHEMBL654003
    • 90812-66-1
    • AS-66313
    • CS-0037836
    • EN300-1842523
    • WCFPZVJGGGBAOQ-UHFFFAOYSA-N
    • SY124412
    • Methyl 4-(carboxymethyloxy)benzoate
    • [4-(Methoxycarbonyl)phenoxy]acetic acid
    • 4-(Carboxymethoxy)benzoic acid methyl ester
    • 2-(4-(methoxycarbonyl)phenoxy)aceticacid
    • 4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester
    • MDL: MFCD09037211
    • Inchi: 1S/C10H10O5/c1-14-10(13)7-2-4-8(5-3-7)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
    • InChI Key: WCFPZVJGGGBAOQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(OCC(O)=O)=CC=1)OC

Computed Properties

  • Exact Mass: 210.05282342g/mol
  • Monoisotopic Mass: 210.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 230
  • 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: 1.9
  • Topological Polar Surface Area: 72.8?2

4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester Pricemore >>

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4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Water ;  5 min, 100 °C
Reference
Microwave (MW), ultrasound (US) and Combined Synergic MW-US strategies for rapid functionalization of pharmaceutical use phenols
Pawelczyk, Anna; Sowa-Kasprzak, Katarzyna; Olender, Dorota; Zaprutko, Lucjusz, Molecules, 2018, 23(9), 2360/1-2360/15

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Methanol ,  Water
Reference
UV-spectral behavior of some newly synthesized half-esters
Adak, Mohini Mohan, Asian Journal of Chemistry, 1992, 4(4), 920-3

Production Method 3

Reaction Conditions
1.1 Catalysts: Esterase
Reference
Aromatic vs aliphatic methyl esters: preferential hydrolysis of latter by pig liver esterase
Basak, Amit; Bhattacharya, Gautam; Mallik, Uttam Kumar, Biotechnology Letters, 1994, 16(12), 1303-4

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Water
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Use of phosphorus pentoxide. Preparation of half-esters through selective esterification
Banerjee, Amalendu; Adak, Mohini Mohan; Das, Sankar; Banerjee, Santa; Sengupta, Saumitra, Journal of the Indian Chemical Society, 1987, 64(1), 34-7

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  5 min, 85 - 90 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3
Reference
Linked drug-drug conjugates based on triterpene and phenol structures. Rational synthesis, molecular properties, toxicity and bioactivity prediction
Pawelczyk, Anna; Olender, Dorota ; Sowa-Kasprzak, Katarzyna ; Zaprutko, Lucjusz, Arabian Journal of Chemistry, 2020, 13(12), 8793-8806

4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester Raw materials

4-(Carboxymethoxy)benzoic Acid 1-Methyl Ester Preparation Products

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