2-Pentenoic acid, 5-[(phenylmethyl)amino]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(E),2beta,5alpha]]-

Base Information

Chemical Name:2-Pentenoic acid, 5-[(phenylmethyl)amino]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(E),2beta,5alpha]]-
CAS No.:155339-53-0
Molecular Formula:C₂₂H₃₃NO₂
Molecular Weight:343.51
Hs Code.:
DSSTox Substance ID:DTXSID001109889

Synonyms:DTXSID001109889;155339-53-0;2-Pentenoic acid, 5-[(phenylmethyl)amino]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(E),2beta,5alpha]]-

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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 2-Pentenoic acid, 5-[(phenylmethyl)amino]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(E),2beta,5alpha]]-

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:343.251129295
Heavy Atom Count:25
Complexity:412

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCC(C(C1)OC(=O)C=CCCNCC2=CC=CC=C2)C(C)C
Isomeric SMILES:C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/CCNCC2=CC=CC=C2)C(C)C

Technology Process of 2-Pentenoic acid, 5-[(phenylmethyl)amino]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(E),2beta,5alpha]]-

There total 4 articles about 2-Pentenoic acid, 5-[(phenylmethyl)amino]-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(E),2beta,5alpha]]- 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: 87.3%

: 155339-64-3
(L)-menthyl N-benzyl-N-(t-butyloxycarbonyl)-5-amino-2E-pentenoate

: 155339-53-0
(L)-menthyl N-benzyl-5-amino-2E-pentenoate

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 0 ℃;
DOI:10.1016/S0040-4020(01)86974-X

Reference yield:

: 98014-77-8
3-(N-benzyl-N-tert-butoxycarbonylamino)propanal

: 155339-53-0
(L)-menthyl N-benzyl-5-amino-2E-pentenoate

Guidance literature:: Multi-step reaction with 2 steps

1: 57.6 percent / potassium t-butoxide / benzene; dioxane / 2.5 h / 25 °C

2: 87.3 percent / trifluoroacetic acid / CH₂Cl₂ / 0 °C

With potassium tert-butylate; trifluoroacetic acid; In 1,4-dioxane; dichloromethane; benzene;
DOI:10.1016/S0040-4020(01)86974-X

Reference yield:

: 155339-52-9
3-(Benzyl-tert-butoxycarbonyl-amino)-propionic acid methyl ester

: 155339-53-0
(L)-menthyl N-benzyl-5-amino-2E-pentenoate

Guidance literature:: Multi-step reaction with 3 steps

1: 57 percent / 1.5M diisobutylaluminum hydride / toluene / 2 h / -78 °C

2: 57.6 percent / potassium t-butoxide / benzene; dioxane / 2.5 h / 25 °C

3: 87.3 percent / trifluoroacetic acid / CH₂Cl₂ / 0 °C

With potassium tert-butylate; diisobutylaluminium hydride; trifluoroacetic acid; In 1,4-dioxane; dichloromethane; toluene; benzene;
DOI:10.1016/S0040-4020(01)86974-X