2-(Boc-aminomethyl)phenol

Base Information

• Chemical Name: 2-(Boc-aminomethyl)phenol
• CAS No.: 390427-07-3
• Molecular Formula: C12H17NO3
• Molecular Weight: 223.272
• European Community (EC) Number: 833-259-0
• ChEMBL ID: CHEMBL5024313
• DSSTox Substance ID: DTXSID20477058
• Nikkaji Number: J1.627.136E
• Wikidata: Q82309149
• Mol file: 390427-07-3.mol

Synonyms:2-(boc-aminomethyl)phenol;390427-07-3;2-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENOL;tert-butyl N-[(2-hydroxyphenyl)methyl]carbamate;MFCD11655886;Carbamic acid, (2-hydroxyphenyl)methyl-, 1,1-dimethylethyl ester;SCHEMBL5792738;CHEMBL5024313;DTXSID20477058;2-(t-Butoxycarbonylaminomethyl)phenol;AKOS027256947;s11287;CS-11847;SY031532;CS-0154385;FT-0663960;tert-Butyl [(2-hydroxyphenyl)methyl]carbamate;EN300-203618;Z1496803437

Chemical Property of 2-(Boc-aminomethyl)phenol

Chemical Property:

• Melting Point: 85-87°C
• Boiling Point: 369.4±25.0 °C(Predicted)
• PKA: 9.79±0.30(Predicted)
• PSA: 58.56000
• Density: 1.121±0.06 g/cm3(Predicted)
• LogP: 2.80780
• Storage Temp.: Refrigerator
• Solubility.: Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

2-(tert-Butoxycarbonylaminomethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=CC=CC=C1O

Technology Process of 2-(Boc-aminomethyl)phenol

There total 6 articles about 2-(Boc-aminomethyl)phenol 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: 76.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-Hydroxybenzylamine (932-30-9) → tert-butyl (2-hydroxybenzyl)carbamate (390427-07-3)

Guidance literature:

In tetrahydrofuran; water;

DOI:10.1002/chem.201903066

Reference yield: 65.0%

di-tert-butyl dicarbonate (24424-99-5) + salicylaldehyde (90-02-8) → tert-butyl (2-hydroxybenzyl)carbamate (390427-07-3)

Guidance literature:

salicylaldehyde; With ammonium hydroxide; In methanol; at 20 ℃; for 3h;

With methanol; sodium tetrahydroborate; at 20 ℃; for 2h;

di-tert-butyl dicarbonate; In dichloromethane; at 20 ℃; for 24h;

Reference yield: 65.0%

tert-butyl carbazate (4248-19-5) + salicylaldehyde (90-02-8) → tert-butyl (2-hydroxybenzyl)carbamate (390427-07-3)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In acetonitrile; at 20 ℃;

DOI:10.1055/a-1348-9031

upstream raw materials:

di-tert-butyl dicarbonate

2-Hydroxybenzylamine

salicylaldehyde-oxime

2-methyl-benzyl alcohol

Downstream raw materials:

2-Hydroxybenzylamine

(2-hydroxyphenyl)methanaminium acetate

o-hydroxyphenylmethylamine hydrochloride