tert-Butyl 4-(hydroxymethyl)benzoate

Base Information

• Chemical Name: tert-Butyl 4-(hydroxymethyl)benzoate
• CAS No.: 143726-85-6
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• European Community (EC) Number: 868-059-2
• Mol file: 143726-85-6.mol

Synonyms:tert-Butyl 4-(hydroxymethyl)benzoate;143726-85-6;Benzoic acid, 4-(hydroxymethyl)-, 1,1-dimethylethyl ester;tert-Butyl4-(hydroxymethyl)benzoate;4-hydroxy-methyl-benzoic acid mono tert-butyl ester;SCHEMBL1019092;t-Butyl 4-hydroxymethylbenzoate;MGMZECMXYCZYSQ-UHFFFAOYSA-N;MFCD04973449;AKOS016013027;CS-W007293;DS-5284;BP-24351;4-hydroxymethyl-benzoic acid t-butyl ester;4-Hydroxymethyl benzoic acid tert-butyl ester;EN300-137138;O12130;A884897;4-HYDROXY-METHYL-BENZOICACIDMONOTERT-BUTYLESTER;Z1386781915

Chemical Property of tert-Butyl 4-(hydroxymethyl)benzoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.13420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

tert-butyl4-(hydroxymethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl 4-(hydroxymethyl)benzoate

There total 5 articles about tert-Butyl 4-(hydroxymethyl)benzoate 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: 100.0%

→ 4-hydroxymethylbenzoic acid tert-butyl ester (143726-85-6)

Guidance literature:

Reference yield: 91.0%

4-(tert-butoxycarbonyl)benzaldehyde (65874-27-3) → 4-hydroxymethylbenzoic acid tert-butyl ester (143726-85-6)

Guidance literature:

With methanol; sodium tetrahydroborate; water; at 0 - 20 ℃; for 1.5h;

Reference yield: 75.0%

terephthalic acid mono-tert-butyl ester (20576-82-3) → 4-hydroxymethylbenzoic acid tert-butyl ester (143726-85-6)

Guidance literature:

With tetrabutylammonium borohydride; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1039/c1ob05661a

upstream raw materials:

4-(tert-butoxycarbonyl)benzaldehyde

4-Carboxybenzaldehyde

di-tert-butyl terephthalate

terephthalic acid mono-tert-butyl ester

Downstream raw materials:

2,2,2-trichloroethyl-{3-[4'-(tert-butyloxycarbonyl)benzyloxycarbonyl]phenyl}acetate

α-((4-chlorobenzenesulfonyl)((4-t-butyloxycarbonylphenyl)methyl)amino)-3,5-difluorobenzeneacetamide

(S)-benzyloxycarbonylalanyl-(S)-(Nδ-tert-butyloxycarbonyl)-ornithine 4-(tert-butoxycarbonyl)phenylmethyl ester

(2S)-[(2S)-benzyloxycarbonylaminopropionylamino]-5-{[(3S)-((1S)-methylpropyl)-4-oxooxetane-(2R)-carbonyl]amino}pentanoic acid 4-(tert-butyloxycarbonyl)phenylmethyl ester