tert-Butyl 4-hydroxy-3-iodophenethylcarbamate

Base Information

• Chemical Name: tert-Butyl 4-hydroxy-3-iodophenethylcarbamate
• CAS No.: 788824-50-0
• Molecular Formula: C13H18INO3
• Molecular Weight: 363.195
• DSSTox Substance ID: DTXSID30469540
• Nikkaji Number: J2.318.416H
• Wikidata: Q82297320
• Mol file: 788824-50-0.mol

Synonyms:788824-50-0;tert-Butyl 4-hydroxy-3-iodophenethylcarbamate;N-tert-Butoxycarbonyl 3-Iodotyramine;TERT-BUTYL N-[2-(4-HYDROXY-3-IODOPHENYL)ETHYL]CARBAMATE;SCHEMBL4451726;DTXSID30469540;AKOS015965515;FT-0664004;tert-Butyl4-hydroxy-3-iodophenethylcarbamate;tert-Butyl [2-(4-hydroxy-3-iodophenyl)ethyl]carbamate

Chemical Property of tert-Butyl 4-hydroxy-3-iodophenethylcarbamate

Chemical Property:

• Melting Point: 129-130°C
• PSA: 62.05000
• LogP: 3.26840
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 363.03314
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

N-tert-Butoxycarbonyl 3-iodotyramine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)O)I

Technology Process of tert-Butyl 4-hydroxy-3-iodophenethylcarbamate

There total 7 articles about tert-Butyl 4-hydroxy-3-iodophenethylcarbamate 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: 91.0%

N-t-butoxycarbonyl-tyramine (64318-28-1) → [2-(4-hydroxy-3-iodo-phenyl)-ethyl]-carbamic acid tert-butyl ester (788824-50-0)

Guidance literature:

With Iodine monochloride; In methanol; dichloromethane; at 20 ℃; for 2h;

Reference yield: 72.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-(3-iodo-4-hydroxyphenyl)ethylamine (3953-14-8) → [2-(4-hydroxy-3-iodo-phenyl)-ethyl]-carbamic acid tert-butyl ester (788824-50-0)

Guidance literature:

With triethylamine; In methanol; at 54 ℃; for 0.5h;

DOI:10.1002/jlcr.960

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → [2-(4-hydroxy-3-iodo-phenyl)-ethyl]-carbamic acid tert-butyl ester (788824-50-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / aq. NaHCO₃ / tetrahydrofuran / 24 h

2: 55 percent / NaI; KOH; NaOCl / methanol / 4 h / 0 °C

With potassium hydroxide; sodium hypochlorite; sodium hydrogencarbonate; sodium iodide; In tetrahydrofuran; methanol;

DOI:10.1021/jm0505718

upstream raw materials:

di-tert-butyl dicarbonate

2-(3-iodo-4-hydroxyphenyl)ethylamine

N-t-butoxycarbonyl-tyramine

tyrosamine

Downstream raw materials:

(2-{4-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-prpopoxy]-3-iodo-phenyl}-ethyl)-carbamic acid tert-butyl ester

N-t-butoxycarbonyl-O-(p-fluorophenyl)-3-iodotyramine

N-t-butoxycarbonyl-O-(p-trifluoromethyl)phenyl-3-iodotyramine

N-t-butoxycarbonyl-O-benzyl-3-iodotyramine

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