tert-butyl N-(4-iodophenyl)carbamate

Base Information

• Chemical Name: tert-butyl N-(4-iodophenyl)carbamate
• CAS No.: 159217-89-7
• Molecular Formula: C11H14 I N O2
• Molecular Weight: 319.142
• Hs Code.: 2924299090
• European Community (EC) Number: 671-697-2
• DSSTox Substance ID: DTXSID40378593
• Nikkaji Number: J2.023.484I
• Wikidata: Q82168074
• Mol file: 159217-89-7.mol

Synonyms:159217-89-7;N-Boc-4-iodoaniline;tert-butyl N-(4-iodophenyl)carbamate;tert-Butyl (4-iodophenyl)carbamate;tert-butyl 4-iodophenylcarbamate;MFCD03490497;Carbamic acid, (4-iodophenyl)-, 1,1-dimethylethyl ester;N-Boc 4-iodoaniline;Carbamic acid, N-(4-iodophenyl)-, 1,1-dimethylethyl ester;(4-iodo-phenyl)-carbamic acid tert-butyl ester;N-Boc-4-iodoaniline, 95%;SCHEMBL718380;DTXSID40378593;tert-butyl(4-iodophenyl)carbamate;CGALRQWBJFDAKN-UHFFFAOYSA-N;4-(t-Butoxycarbonylamino)iodobenzene;AKOS003477454;DS-9636;n-tertiary-butyloxycarbonyl-4-iodoaniline;SY063484;1-Iodo-4-(tert-butoxycarbonylamino)benzene;FT-0643547;(4-Iodo-phenyl)carbamic acid tert-butyl ester;(4-iodophenyl)-carbamic acid tert-butyl ester;EN300-262312;N-(4-iodophenyl)carbamic acid tert-butyl ester;A810008

Chemical Property of tert-butyl N-(4-iodophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.00123mmHg at 25°C
• Melting Point: 146-147°C
• Boiling Point: 299°Cat760mmHg
• PKA: 13.12±0.70(Predicted)
• Flash Point: 134.6°C
• PSA: 38.33000
• Density: 1.591g/cm³
• LogP: 3.71120
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 319.00693
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

N-Boc-4-iodoaniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-43-50
• Safety Statements: 36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)I

Technology Process of tert-butyl N-(4-iodophenyl)carbamate

There total 12 articles about tert-butyl N-(4-iodophenyl)carbamate 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%

di-tert-butyl dicarbonate (24424-99-5) + p-aminoiodobenzene (540-37-4) → N-Boc-4-iodoaniline (159217-89-7)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2006.08.058

Reference yield: 98.0%

→ N-Boc-4-iodoaniline (159217-89-7)

Guidance literature:

With guanidine hydrochloride; In ethanol; at 38 ℃;

Reference yield: 93.0%

tert-butyldicarbonate (34619-03-9) + p-aminoiodobenzene (540-37-4) → N-Boc-4-iodoaniline (159217-89-7)

Guidance literature:

With methanol; triethylamine; at 50 ℃; for 18h;

DOI:10.1021/ol801083r

upstream raw materials:

di-tert-butyl dicarbonate

p-aminoiodobenzene

tert-butyldicarbonate

tert-butyl phenylcarbamate

Downstream raw materials:

(4-(N-tert-butoxycarbonyl-amino)phenyl)phosphinic acid methyl ester

⁽³⁾-[4-(tert-Butoxycarbonylamino)phenyl]-propenoic acid methyl ester

C₁₃H₁₈INO₂

C₂₁H₂₁NO₄

Refernces

• 1、 Almallah, Hamzé,Nos, Mélodie,Ayzac, Virgile,Brenner, Eric,Matt, Dominique,Gourlaouen, Christophe,Jahjah, Mohamad,Hijazi, Akram. "Complexes featuring N-heterocyclic carbenes with bowl-shaped wingtips". . p. 299 - 309. Retrieved 2019.
• 2、 D'Hollander, Agathe C. A.,Romero, Eugénie,Vijayakumar, Kamsana,Le Houérou, Camille,Retailleau, Pascal,Dodd, Robert H.,Iorga, Bogdan I.,Cariou, Kevin. "Base-Mediated Generation of Ketenimines from Ynamides: [3+2] Annulation with Azaallyl Anions". supporting information. p. 2903 - 2908. Retrieved 2021/04/21.
• 3、 Liosi, Maria-Elena,Krimmer, Stefan G.,Newton, Ana S.,Dawson, Thomas K.,Puleo, David E.,Cutrona, Kara J.,Suzuki, Yoshihisa,Schlessinger, Joseph,Jorgensen, William L.. "Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core". . p. 5324 - 5340. Retrieved 2020/06/10.