N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl ester

Base Information

Chemical Name:N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl ester
CAS No.:177990-44-2
Molecular Formula:C₂₀H₂₉NO₄
Molecular Weight:347.455
Hs Code.:
DSSTox Substance ID:DTXSID001127792
Mol file:177990-44-2.mol

Synonyms:SCHEMBL7842880;DROWEJQQCINJOY-UHFFFAOYSA-N;DTXSID001127792;N-t-Butoxycarbonyl-4-(2-methylbenzyl)-isonipecotic acid methyl ester;N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl ester;1-(1,1-Dimethylethyl) 4-methyl 4-[(2-methylphenyl)methyl]-1,4-piperidinedicarboxylate;177990-44-2

Suppliers and Price of N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl ester

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

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Chemical Property of N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl ester

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:347.20965841
Heavy Atom Count:25
Complexity:475

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=CC=C1CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)OC

Technology Process of N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl ester

There total 4 articles about N-t-butoxycarbonyl-4-(2-methylbenzyl)isonipecotic acid methyl 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:

aqueous NH₄ Cl: aqueous NH₄ Cl

: 124443-68-1
1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate

: 89-92-9
2-methylbenzyl bromide

: 177990-44-2
N-t-butoxycarbonyl-4-(2-methylbenzyl)-isonipecotic acid methyl ester

Guidance literature:: With diisopropylamine; In tetrahydrofuran; ethyl acetate;

Reference yield:

: 498-94-2
isonipecotic acid

: 177990-44-2
N-t-butoxycarbonyl-4-(2-methylbenzyl)-isonipecotic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran; sodium hydroxide

2: methanol; acetic acid; benzene

3: diisopropylamine / tetrahydrofuran; ethyl acetate

With diisopropylamine; In tetrahydrofuran; methanol; sodium hydroxide; acetic acid; ethyl acetate; benzene;

Reference yield:

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

: 177990-44-2
N-t-butoxycarbonyl-4-(2-methylbenzyl)-isonipecotic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran; sodium hydroxide

2: methanol; acetic acid; benzene

3: diisopropylamine / tetrahydrofuran; ethyl acetate

With diisopropylamine; In tetrahydrofuran; methanol; sodium hydroxide; acetic acid; ethyl acetate; benzene;