3,4-Dihydroxybenzyl alcohol

Base Information

• Chemical Name: 3,4-Dihydroxybenzyl alcohol
• CAS No.: 3897-89-0
• Molecular Formula: C7H8O3
• Molecular Weight: 140.139
• Hs Code.: 2907299090
• European Community (EC) Number: 679-887-7
• NSC Number: 355645
• UNII: 8R7J3P76KE
• DSSTox Substance ID: DTXSID30192260
• Nikkaji Number: J79.872J
• Wikidata: Q1765796
• Metabolomics Workbench ID: 68059
• ChEMBL ID: CHEMBL440107
• Mol file: 3897-89-0.mol

Synonyms:3,4-dihydroxybenzyl alcohol

Chemical Property of 3,4-Dihydroxybenzyl alcohol

Chemical Property:

• Melting Point: 117 °C
• Boiling Point: 362.8 °C at 760 mmHg
• PKA: 9.58±0.10(Predicted)
• Flash Point: 190.3 °C
• PSA: 60.69000
• Density: 1.4 g/cm³
• LogP: 0.59010
• Storage Temp.: <0°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Dihydroxybenzyl Alcohol >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)O)O

Technology Process of 3,4-Dihydroxybenzyl alcohol

There total 25 articles about 3,4-Dihydroxybenzyl alcohol 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:

Reference yield: 94.0%

3,4-dihydroxybenzaldehyde (139-85-5) → 4-(hydroxymethyl)benzene-1,2-diol (3897-89-0)

Guidance literature:

With sodium tetrahydroborate; TiO(acac)2; In acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1515/znb-2003-1211

Reference yield: 37.6%

3,4-dioxo-3,4-dihydrobenzyl alcohol (180890-43-1) → 4-(hydroxymethyl)benzene-1,2-diol (3897-89-0)

Guidance literature:

With potassium hydroxide; lithium perchlorate; In water; acetonitrile; at 0 ℃; cathodic reduction at Pt electrode;

Reference yield: 19.0%

3-hydroxy-4-methoxybenzyl alcohol (4383-06-6) → 4-(hydroxymethyl)benzene-1,2-diol (3897-89-0)

Guidance literature:

With 3,4-Dihydroxybenzoic acid; holo-corrinoid protein reconstructed from recombinant apo-protein and methyl cobalamin; methyl transferase I from Desulfitobacterium hafniense; potassium chloride; potassium hydroxide; In dimethyl sulfoxide; at 30 ℃; for 24h; pH=6.5; Solvent; Enzymatic reaction;

DOI:10.1002/adsc.201801590

upstream raw materials:

Veratric acid

3,4-dioxo-3,4-dihydrobenzyl alcohol

3,4-dihydroxybenzaldehyde

3,4-bis(benzyloxy)benzyl alcohol

Downstream raw materials:

3,4-dihydroxybenzonitrile

Ethyl protocatechuate

2,(3,4-dihydroxyphenyl)-1H-benzo[d]imidazole

3-hydroxy-4-methoxybenzyl alcohol

Refernces

• 1、 Pau,Acheson. "-". . p. 206,207 - 211. Retrieved 1968.
• 2、 Grimm, Christopher,Kroutil, Wolfgang,Pompei, Simona,Schiller, Christine,Schober, Lukas. "Thiols Act as Methyl Traps in the Biocatalytic Demethylation of Guaiacol Derivatives". . p. 16906 - 16910. Retrieved 2021/07/02.
• 3、 Park, Kyoung Jin,Cha, Joon Min,Subedi, Lalita,Kim, Sun Yeou,Lee, Kang Ro. "Phenolic constituents from the twigs of Betula schmidtii collected in Goesan, Korea". . . Retrieved 2019/08/20.