N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

Base Information

Chemical Name:N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea
CAS No.:1334181-89-3
Molecular Formula:C₂₀H₂₈FN₃O₄S
Molecular Weight:425.524
Hs Code.:

Synonyms:N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

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Chemical Property of N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

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Technology Process of N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

There total 4 articles about N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea 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: 62.0%

: 173998-77-1
N-(tert-butyloxycarbonyl)-S-methylisothiourea

: 953747-69-8
6-(4-fluorobenzamido)hexanoic acid

: 1334181-89-3
N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

Guidance literature:: With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;
DOI:10.1002/cmdc.201100241

Reference yield:

: 66134-67-6
p-fluorobenzoic acid succinimidyl ester

: 1334181-89-3
N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / acetonitrile; water

2: N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide; water / 2 h

With sodium hydrogencarbonate; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/acsmedchemlett.6b00467

Reference yield:

: 403-43-0
4-fluorobenzoyl chloride

: 1334181-89-3
N-tert-butoxycarbonyl-N'-[6-(4-fluorobenzamido)hexanoyl]-S-methylisothiourea

Guidance literature:: Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / chloroform / 20 °C / Cooling with ice

2: sodium hydrogencarbonate / acetonitrile; water

3: N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide; water / 2 h

With sodium hydrogencarbonate; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In chloroform; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/acsmedchemlett.6b00467