5-Tert-butyl-2-hydroxy-3-hydroxymethylbenzaldehyde

Base Information

• Chemical Name: 5-Tert-butyl-2-hydroxy-3-hydroxymethylbenzaldehyde
• CAS No.: 39117-96-9
• Molecular Formula: C12H16 O3
• Molecular Weight: 0
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID00699594
• Nikkaji Number: J2.502.538E
• Wikidata: Q82630567
• Mol file: 39117-96-9.mol

Synonyms:39117-96-9;5-TERT-BUTYL-2-HYDROXY-3-HYDROXYMETHYLBENZALDEHYDE;5-tert-Butyl-2-hydroxy-3-(hydroxymethyl)benzaldehyde;SCHEMBL18218315;DTXSID00699594;3-Hydroxymethyl-5-tert-butylsalicylaldehyde;5-t-butyl-2-hydroxy-3-hydroxymethyl-benzaldehyde

Chemical Property of 5-Tert-butyl-2-hydroxy-3-hydroxymethylbenzaldehyde

Chemical Property:

• PSA: 57.53000
• LogP: 1.99450
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

5-TERT-BUTYL-2-HYDROXY-3-HYDROXYMETHYLBENZALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Tert-butyl-2-hydroxy-3-hydroxymethylbenzaldehyde

There total 5 articles about 5-Tert-butyl-2-hydroxy-3-hydroxymethylbenzaldehyde 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: 88.0%

6-tert-butyl-2,2-dimethyl-4H-benzo[1,3]dioxine-8-carbaldehyde (367965-69-3) → 5-tert-butyl-2-hydroxy-3-(hydroxymethyl)-benzaldehyde (39117-96-9)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; Reflux;

DOI:10.1021/jm800853p

Reference yield: 62.0%

4-tert-butyl-2,5-bis(hydroxymethyl)phenol (2203-14-7) → 5-tert-butyl-2-hydroxy-3-(hydroxymethyl)-benzaldehyde (39117-96-9) + 2-hydroxy-5-t-butylisophthalaldehyde (84501-28-0)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃; for 8h;

DOI:10.1016/j.tet.2007.07.014

Reference yield: 30.0%

4-tert-butyl-2,5-bis(hydroxymethyl)phenol (2203-14-7) → 5-tert-butyl-2-hydroxy-3-(hydroxymethyl)-benzaldehyde (39117-96-9)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃; for 8h;

DOI:10.1021/jo1004247

upstream raw materials:

4-tert-butyl-2,5-bis(hydroxymethyl)phenol

para-tert-butylphenol

6-tert-butyl-2,2-dimethyl-4H-benzo[1,3]dioxine-8-carbaldehyde

Downstream raw materials:

2-allyloxy-3-hydroxymethyl-5-tert-butylbenzaldehyde

2-allyloxy-3-chloromethyl-5-tert-butylbenzaldehyde

C₇₂H₉₄N₂O₈

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