p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-

Base Information

• Chemical Name: p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-
• CAS No.: 40870-52-8
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 2914698090
• NSC Number: 186038
• UNII: S49T0GW9FY
• DSSTox Substance ID: DTXSID00193840
• Nikkaji Number: J65.916I
• Wikidata: Q83066565
• Mol file: 40870-52-8.mol

Synonyms:40870-52-8;p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-;2-(hydroxymethyl)-5-methylcyclohexa-2,5-diene-1,4-dione;2-(Hydroxymethyl)-5-methyl-p-benzoquinone;4-Hydroxymethyltoluquinone;2-Hydroxymethyl-5-methyl-p-benzoquinone;S49T0GW9FY;2,5-Cyclohexadiene-1,4-dione, 2-(hydroxymethyl)-5-methyl-;NSC-186038;NSC 186038;BRN 1942077;2-hydroxymethyl-5-methyl-1,4-benzoquinone;NSC186038;UNII-S49T0GW9FY;SCHEMBL3968141;DTXSID00193840;2,4-dione, 2-(hydroxymethyl)-5-methyl-;CS-0452349;2-(HYDROXYMETHYL)-5-METHYL-2,5-CYCLOHEXADIENE-1,4-DIONE

Chemical Property of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-

Chemical Property:

• Vapor Pressure: 0.000311mmHg at 25°C
• Boiling Point: 285.9°C at 760 mmHg
• Flash Point: 140.9°C
• PSA: 54.37000
• Density: 1.261g/cm³
• LogP: 0.00320
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

2-(Hydroxymethyl)-5-methylcyclohexa-2,5-diene-1,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(=CC1=O)CO

Technology Process of p-Benzoquinone, 2-(hydroxymethyl)-5-methyl-

There total 3 articles about p-Benzoquinone, 2-(hydroxymethyl)-5-methyl- 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:

3-Nitro-4-methyl-benzylalkohol-acetat (40870-71-1) → 2-hydroxymethyl-5-methyl-1,4-benzoquinone (40870-52-8)

Guidance literature:

Multistep reaction; (i) H₂, Rh-Al₂O₃, (ii) Na₂Cr₂O₇, aq. H₂SO₄;

DOI:10.1021/jm00282a011

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-methylbenzene-1,4-diol (95-71-6,96937-50-7) → 2-hydroxymethyl-5-methyl-1,4-benzoquinone (40870-52-8)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) Ag₂O, MgSO₄, THF;

DOI:10.1021/jm00269a013

Reference yield:

→ 2-hydroxymethyl-5-methyl-1,4-benzoquinone (40870-52-8)

Guidance literature:

Aus 2-Hydroxy-4-methylbenzylalkohol;

upstream raw materials:

3-Nitro-4-methyl-benzylalkohol-acetat

formaldehyd

2-methylbenzene-1,4-diol

Downstream raw materials:

2,5-dihydroxy-4-methyl-benzyl alcohol

Methyl-carbamic acid 4-methyl-3,6-dioxo-cyclohexa-1,4-dienylmethyl ester

2,5-diaziridinyl-3-hydroxymethyl-6-methyl-1,4-benzoquinone

benzoyl RH₁