3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetate

Base Information

Chemical Name:3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetate
CAS No.:885608-62-8
Molecular Formula:C₁₅H₂₀INO₄
Molecular Weight:405.233
Hs Code.:
DSSTox Substance ID:DTXSID10696872
Wikidata:Q82626603

Synonyms:885608-62-8;3-(TERT-BUTOXYCARBONYLAMINO)-6-IODO-2-METHYLBENZYL ACETATE;SCHEMBL2210140;DTXSID10696872;LGCZKWUOVYKCKK-UHFFFAOYSA-N;FT-0743777;A842705;Acetic acid 3-tert-butoxycarbonylamino-6-iodo-2-methyl-benzyl ester;{3-[(tert-Butoxycarbonyl)amino]-6-iodo-2-methylphenyl}methyl acetate;[6-iodanyl-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl ethanoate;acetic acid [6-iodo-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methyl ester

Suppliers and Price of 3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:405.04371
Heavy Atom Count:21
Complexity:380

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1COC(=O)C)I)NC(=O)OC(C)(C)C

Technology Process of 3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetate

There total 4 articles about 3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetate 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: 90.0%

: 885610-05-9
tert-butyl (3-(hydroxymethyl)-4-iodo-2-methylphenyl)carbamate

: 108-24-7
acetic anhydride

: 885608-62-8
acetic acid 3-tert-butoxycarbonylamino-6-iodo-2-methyl-benzyl ester

Guidance literature:: With sodium acetate; In tetrahydrofuran; for 5h; Inert atmosphere; Reflux;
DOI:10.1016/j.bmcl.2020.127624

Reference yield:

: 83647-42-1
3-amino-2-methylbenzyl alcohol

: 885608-62-8
acetic acid 3-tert-butoxycarbonylamino-6-iodo-2-methyl-benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: urea hydrogen peroxide adduct; iodine / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

1.2: 15 h / Inert atmosphere; Reflux

2.1: sodium acetate / tetrahydrofuran / 5 h / Inert atmosphere; Reflux

With iodine; sodium acetate; urea hydrogen peroxide adduct; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2020.127624

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 885608-62-8
acetic acid 3-tert-butoxycarbonylamino-6-iodo-2-methyl-benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: urea hydrogen peroxide adduct; iodine / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

1.2: 15 h / Inert atmosphere; Reflux

2.1: sodium acetate / tetrahydrofuran / 5 h / Inert atmosphere; Reflux

With iodine; sodium acetate; urea hydrogen peroxide adduct; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2020.127624