(2S)-1-[(1S)-1-phenylethyl]azetidine-2-carbonitrile

Base Information

• Chemical Name: (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carbonitrile
• CAS No.: 869800-24-8
• Molecular Formula: C12H14N2
• Molecular Weight: 186.25300
• DSSTox Substance ID: DTXSID80467955
• Nikkaji Number: J2.267.422F
• Wikidata: Q82295041

Synonyms:869800-24-8;CTK3C6048;DTXSID80467955;AKOS006284239

Chemical Property of (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carbonitrile

Chemical Property:

• PSA: 27.03000
• LogP: 2.28338
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCC2C#N
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)N2CC[C@H]2C#N

Technology Process of (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carbonitrile

There total 8 articles about (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carbonitrile 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%

(S)-1-((S)-1'-phenylethyl)azetidine-2-carboxamide → [1(1S),2S]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile (869800-24-8)

Guidance literature:

With pyridine; trifluoroacetic anhydride; In 1,4-dioxane; at 10 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/d1ra04585g

Reference yield:

[1(1S),2R]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile (869800-25-9) → [1(1S),2S]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile (869800-24-8)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jo0515881

Reference yield:

(S)-2-[(2-chloro-ethyl)-(1-phenyl-ethyl)-amino]-acetonitrile (869800-23-7) → [1(1S),2S]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile (869800-24-8) + [1(1S),2R]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile (869800-25-9)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1021/jo0515881

upstream raw materials:

[1(1S),2R]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile

(S)-2-[(2-chloro-ethyl)-(1-phenyl-ethyl)-amino]-acetonitrile

(S)-2-[(2-hydroxy-ethyl)-(1-phenyl-ethyl)-amino]-acetonitrile

(S)-1-phenyl-ethylamine

Downstream raw materials:

[1(1S),2R]-1-(1-phenyl-ethyl)-azetidine-2-carbonitrile

(S)-1-((S)-1-Phenyl-ethyl)-azetidine-2-carboxylic acid; hydrochloride

(R)-1-((S)-1-Phenyl-ethyl)-azetidine-2-carboxylic acid; hydrochloride

ethyl 1-((S)-1-phenylethyl)azetidine-2-carboxylate

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