(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester

Base Information

• Chemical Name: (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester
• CAS No.: 211029-67-3
• Molecular Formula: C10H13IN2O2
• Molecular Weight: 320.13
• Hs Code.: 29183000
• European Community (EC) Number: 681-521-6
• DSSTox Substance ID: DTXSID00447830
• Nikkaji Number: J981.193A
• Wikidata: Q72503479
• Mol file: 211029-67-3.mol

Synonyms:211029-67-3;N-Boc-4-Amino-3-iodopyridine;(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester;4-(boc-amino)-3-iodopyridine;Tert-butyl N-(3-iodopyridin-4-yl)carbamate;tert-butyl (3-iodopyridin-4-yl)carbamate;tert-butyl 3-iodopyridin-4-ylcarbamate;(3-Iodo-pyridin-4-yl)-carbamicacidtert-butylester;(3-iodopyridin-4-yl)carbamic acid tert-butyl ester;MFCD04973409;tert-butyl 3-iodo-4-pyridinylcarbamate;tert-Butyl-3-iodo-4-pyridinyl carbamate;4-Boc-Amino-3-Iodopyridine;SCHEMBL4037373;DTXSID00447830;FFJIDTLUJQCVAI-UHFFFAOYSA-N;AMY15200;AKOS015919922;AB21339;CS-W012005;DS-9776;t-butyl (3-iodopyridin-4-yl)carbamate;4-(BOC-AMINO)-3-IODO-PYRIDINE;AC-28004;SY041676;FT-0647005;3-Iodo-4-pyridylcarbamic acid tert-butyl ester;A13972;EN300-7385857;J-013848;(3-iodopyridin-4-yl)-carbamic acid tert-butyl ester;(3-iodo-pyridin-4-yl)carbamic acid 1,1-dimethylethyl ester;Carbamic acid, N-(3-iodo-4-pyridinyl)-, 1,1-dimethylethyl ester

Chemical Property of (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester

Chemical Property:

• Vapor Pressure: 0.000503mmHg at 25°C
• Melting Point: 79-83°C
• Refractive Index: 1.609
• Boiling Point: 313.2 °C at 760 mmHg
• PKA: 11.85±0.70(Predicted)
• Flash Point: 143.2 °C
• PSA: 51.22000
• Density: 1.652g/cm³
• LogP: 3.10620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.00218
• Heavy Atom Count: 15
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3-Iodo-pyridin-4-yl)-carbamicacidtert-butylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester

There total 1 articles about (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester 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:

→ (3-iodo-pyridin-4-yl)-carbamic acid tert-butyl ester (211029-67-3) + (4-iodo-pyridin-3-yl)-carbamic acid tert-butyl ester (154048-89-2)

Guidance literature:

Reference yield: 99.0%

(S)-6-bromo-1-ethynyl-2-((4-phenylbut-3-yn-2-yl)oxy)naphthalene (1415011-16-3) + (3-iodo-pyridin-4-yl)-carbamic acid tert-butyl ester (211029-67-3) → (S)-tert-butyl (3-((6-bromo-2-((4-phenylbut-3-yn-2-yl)oxy)naphthalen-1-yl)ethynyl)pyridin-4-yl)carbamate (1415011-17-4)

Guidance literature:

(3-iodo-pyridin-4-yl)-carbamic acid tert-butyl ester; With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diisopropylamine; at 20 ℃; for 0.25h; Inert atmosphere;

(S)-6-bromo-1-ethynyl-2-((4-phenylbut-3-yn-2-yl)oxy)naphthalene; In toluene; at 20 ℃; for 24.5h;

DOI:10.1039/c2cc35583c

Reference yield: 97.0%

Benzyl propargyl ether (4039-82-1) + (3-iodo-pyridin-4-yl)-carbamic acid tert-butyl ester (211029-67-3) → tert-butyl 2-((benzyloxy)methyl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 65 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.oprd.8b00208

Downstream raw materials:

(3-Ethynyl-pyridin-4-yl)-carbamic acid tert-butyl ester

2-(4-benzyloxycarbonyl-2-oxopiperazin-1-ylmethyl)pyrrolo[3,2-c]pyridin-1-carboxylic acid tert-butyl ester

2-[4-(4'-chloro-biphenyl-4-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester

tert-butyl 1H-pyrrolo[3,2-c]pyridine-1-carboxylate

Refernces