Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]acetate

Base Information

Chemical Name:Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]acetate
CAS No.:200397-90-6
Molecular Formula:C₁₆H₂₁NO₂
Molecular Weight:259.348
Hs Code.:
DSSTox Substance ID:DTXSID901170712
Nikkaji Number:J921.889K

Synonyms:DTXSID901170712;200397-90-6;Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]acetate

Suppliers and Price of Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]acetate

Supply Marketing:

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

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Chemical Property of Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]acetate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:259.157228913
Heavy Atom Count:19
Complexity:332

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C=C1CCCN1C(C)C2=CC=CC=C2
Isomeric SMILES:CCOC(=O)/C=C/1\CCCN1[C@@H](C)C2=CC=CC=C2

Technology Process of Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]acetate

There total 5 articles about Ethyl (2E)-2-[1-[(1S)-1-phenylethyl]-2-pyrrolidinylidene]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: 68.0%

: 1071-46-1
hydrogen ethyl malonate

: 106137-78-4
(S)-N-(1'-phenylethyl)-2-pyrrolidinone

: 200397-90-6
1-<1'-(S)-phenylethyl>-2-(ethoxycarbonylmethylidene)pyrrolidine

Guidance literature:: (S)-N-(1'-phenylethyl)-2-pyrrolidinone; With trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 0 ℃; for 1h;

hydrogen ethyl malonate; With sodium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; at -78 - 20 ℃; for 3h;
DOI:10.1002/ejoc.201601326

Reference yield:

: 2627-86-3
(S)-1-phenyl-ethylamine

: 200397-90-6
1-<1'-(S)-phenylethyl>-2-(ethoxycarbonylmethylidene)pyrrolidine

Guidance literature:: Multi-step reaction with 4 steps

1: Et₃N / CH₂Cl₂

2: 50percent aq. NaOH, benzyltriethylammonium chloride (TEBA) / CH₂Cl₂

3: P₂S₆ / CS₂

4: 2.) (EtO)3P, Et₃N / 1.) MeCN, RT, 2.) CH₂Cl₂

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; phosphorous (V) sulfide; triethylamine; triethyl phosphite; In carbon disulfide; dichloromethane;
DOI:10.3987/R-1986-07-1825

Reference yield:

: 106137-78-4
(S)-N-(1'-phenylethyl)-2-pyrrolidinone

: 200397-90-6
1-<1'-(S)-phenylethyl>-2-(ethoxycarbonylmethylidene)pyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1: P₂S₆ / CS₂

2: 2.) (EtO)3P, Et₃N / 1.) MeCN, RT, 2.) CH₂Cl₂

With phosphorous (V) sulfide; triethylamine; triethyl phosphite; In carbon disulfide;
DOI:10.3987/R-1986-07-1825