2-Aminomethyl-4-t-butyl-6-iodophenol

Base Information

• Chemical Name: 2-Aminomethyl-4-t-butyl-6-iodophenol
• CAS No.: 58456-91-0
• Molecular Formula: C11H16 I N O
• Molecular Weight: 305.159
• DSSTox Substance ID: DTXSID00207153
• Nikkaji Number: J22.663G
• Wikidata: Q83081047
• ChEMBL ID: CHEMBL279581
• Mol file: 58456-91-0.mol

Synonyms:2-aminomethyl-4-butyl-6-iodophenyl;2-aminomethyl-4-t-butyl-6-iodophenol;2-aminomethyl-4-t-butyl-6-iodophenol hydrochloride;MK 447;MK-447

Chemical Property of 2-Aminomethyl-4-t-butyl-6-iodophenol

Chemical Property:

• Vapor Pressure: 0.000412mmHg at 25°C
• Melting Point: 146-146.5 °C (decomp)
• Boiling Point: 306.9°Cat760mmHg
• PKA: 7.30±0.50(Predicted)
• Flash Point: 139.4°C
• PSA: 46.25000
• Density: 1.552g/cm³
• LogP: 3.45330
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 305.02766
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

95% ^*data from raw suppliers

2-AMINOMETHYL-4-TERT-BUTYL-6-IODOPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)I)O)CN

Technology Process of 2-Aminomethyl-4-t-butyl-6-iodophenol

There total 3 articles about 2-Aminomethyl-4-t-butyl-6-iodophenol 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:

para-tert-butylphenol (98-54-4) → 2-aminomethyl-4-tert-butyl-6-iodophenol (58456-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / iodine monochloride

2: H₂SO₄, AcOH / 6 h / Ambient temperature

With sulfuric acid; Iodine monochloride; acetic acid;

DOI:10.1002/(SICI)1099-1344(199709)39:9<711::AID-JLCR22>3.0.CO;2-A

Reference yield:

2-Chloro-N-(hydroxymethyl)acetamide (2832-19-1) + 4-tert-butyl-2-iodophenol (38941-98-9) → 2-aminomethyl-4-tert-butyl-6-iodophenol (58456-91-0)

Guidance literature:

With sulfuric acid; acetic acid; for 6h; Ambient temperature;

DOI:10.1002/(SICI)1099-1344(199709)39:9<711::AID-JLCR22>3.0.CO;2-A

Reference yield:

→ 2-aminomethyl-4-tert-butyl-6-iodophenol (58456-91-0)

Guidance literature:

upstream raw materials:

2-Chloro-N-(hydroxymethyl)acetamide

4-tert-butyl-2-iodophenol

para-tert-butylphenol

Downstream raw materials:

2,2,2-trifluoro-N-<<5-(1,1-dimethylethyl)-2-hydroxy-3-iodophenyl>methyl>acetamide

2-(aminomethyl)-4-(1,1-dimethylethyl)-6-iodophenyl benzenesulfonate hydrochloride

2-(aminomethyl)-4-(1,1-dimethylethyl)-6-iodophenyl N-ethylsulfamate hydrochloride

2-(aminomethyl)-4-(1,1-dimethylethyl)-6-iodophenyl N,N-dimethylsulfamate hydrochloride