4-(Hydroxymethyl)benzoic acid - CAS 3006-96-0
Catalog: |
BB020434 |
Product Name: |
4-(Hydroxymethyl)benzoic acid |
CAS: |
3006-96-0 |
Synonyms: |
HMBA Linker; 4-Carboxybenzyl Alcohol; p-(Hydroxymethyl)benzoic Acid; p-Carboxybenzyl Alcohol; α-Hydroxy-p-toluic Acid; α-Hydroxy-p-toluic Acid; 4-(hydroxymethyl)benzoic Acid; USP Eprosartan Related Compound E; USP Ecamsule Related Compound B; Eprosartan USP Related Compound E; para-hydroxymethylbenzoic acid |
Application: |
4-(Hydroxymethyl)benzoic Acid (Eprosartan USP Related Compound E) is an intermediate in the synthesis of Eprosartan (E590100), a prototype of the imidazoleacrylic acid angiotensin II receptor antagonists used as an antihypertensive agent. |
IUPAC Name: | 4-(hydroxymethyl)benzoic acid |
Description: | An impurity of Eprosartan. Eprosartan is an angiotensin II receptor antagonist used for the treatment of high blood pressure. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | C1=CC(=CC=C1CO)C(=O)O |
InChI: | InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11) |
InChI Key: | WWYFPDXEIFBNKE-UHFFFAOYSA-N |
Boiling Point: | 347.4±25.0 ℃ at 760 mmHg |
Melting Point: | 182-185 ℃ |
Purity: | 99 % (HPLC) |
Density: | 1.314±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | White crystalline powder |
Storage: | 2-8 ℃ |
MDL: | MFCD00017598 |
LogP: | 0.87710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149861-A | P-hydroxymethyl benzoic acid (alkyl ester) -4-azobenzene and preparation method and application thereof | 20210513 |
CN-113322073-A | Degradable dendritic soil conditioner and preparation method thereof | 20210430 |
KR-102248986-B1 | Concrete admixture comprising carboxylic complex composition and silica hybrid fluorosilicate complex composition | 20201202 |
CN-112299994-A | PTA oxidation residue recovery process | 20201103 |
CN-112299994-B | PTA oxidation residue recovery process | 20201103 |
PMID | Publication Date | Title | Journal |
22982011 | 20121031 | Evaluation of the antimycobacterium activity of the constituents from Ocimum basilicum against Mycobacterium tuberculosis | Journal of ethnopharmacology |
19891951 | 20100301 | One-bead, one-compound peptide library sequencing via high-pressure ammonia cleavage coupled to nanomanipulation/nanoelectrospray ionization mass spectrometry | Analytical biochemistry |
20593475 | 20100101 | Toward the total chemical synthesis of the cancer protein NY-ESO-1 | Biopolymers |
19771352 | 20091014 | Bimetallic complexes based on carboxylate and xanthate ligands: synthesis and electrochemical investigations | Dalton transactions (Cambridge, England : 2003) |
19593439 | 20090713 | Exploration of the one-bead one-compound methodology for the design of prolyl oligopeptidase substrates | PloS one |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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