(S)-(-)-N,N-Dimethyl-1-phenethylamine

Base Information

• Chemical Name: (S)-(-)-N,N-Dimethyl-1-phenethylamine
• CAS No.: 17279-31-1
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921499090
• European Community (EC) Number: 241-310-8
• DSSTox Substance ID: DTXSID401284607
• Nikkaji Number: J57.124E
• Mol file: 17279-31-1.mol

Synonyms:17279-31-1;(S)-(-)-N,N-Dimethyl-1-phenethylamine;(S)-N,N-Dimethyl-1-phenylethanamine;(S)-(-)-N,N-Dimethyl-1-phenylethylamine;(1S)-N,N-dimethyl-1-phenylethanamine;(S)-(-)-alpha-Methyl-N,N-dimethylbenzylamine;N,N-Dimethyl-1-phenylethanamine #;EINECS 241-310-8;SCHEMBL774509;BVURNMLGDQYNAF-VIFPVBQESA-N;Dimethyl[(S)-1-phenylethyl]amine;DTXSID401284607;(S)-n,n-dimethyl-1-phenethylamine;AMY25593;MFCD00056236;(s)-N,N-dimethyl-1-phenylethylamine;AKOS017343709;(S)-(-)-N,N,alpha-Trimethylbenzylamine;AS-62224;DIMETHYL[(1S)-1-PHENYLETHYL]AMINE;Benzenemethanamine,N,N,a-trimethyl-,(as)-;D1707;(alphaS)-N,N,alpha-Trimethylbenzenemethanamine;(R)-(+)-alpha-Methyl-N,N-dimethylbenzylamine;(S)-(-)-N,N-Dimethyl-1-phenylethylamine, 97%;A881845;Benzenemethanamine, N,N,.alpha.-trimethyl-, (S)-;J-010849;J-012522

Chemical Property of (S)-(-)-N,N-Dimethyl-1-phenethylamine

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 0.568mmHg at 25°C
• Melting Point: 143°C (estimate)
• Refractive Index: n20/D 1.503
• Boiling Point: 189.5 °C at 760 mmHg
• PKA: 8.88±0.50(Predicted)
• Flash Point: 64.4 °C
• PSA: 3.24000
• Density: 0.914 g/cm³
• LogP: 2.30920
• Storage Temp.: 0-6°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-(-)-N,N-Dimethyl-1-phenethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of (S)-(-)-N,N-Dimethyl-1-phenethylamine

There total 56 articles about (S)-(-)-N,N-Dimethyl-1-phenethylamine 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + rac-methylbenzylamine (618-36-0) → dimethyl(1-phenylethyl)amine (2449-49-2,7398-61-0,17279-31-1,19342-01-9)

Guidance literature:

formaldehyd; rac-methylbenzylamine; With hydrogenchloride; In methanol; at 20 ℃;

With N-methylpiperidine zinc borohydride; In methanol; at 20 ℃; for 0.25h;

DOI:10.1080/00397910600943667

Reference yield: 95.0%

methanol (67-56-1) + rac-methylbenzylamine (618-36-0) → dimethyl(1-phenylethyl)amine (2449-49-2,7398-61-0,17279-31-1,19342-01-9)

Guidance literature:

With 10wt%Cu-5wt%Co/γ-Al₂O₃; at 190 ℃; for 4h; Autoclave; Inert atmosphere;

Reference yield: 89.0%

carbon dioxide (124-38-9,18923-20-1) + rac-methylbenzylamine (618-36-0) → dimethyl(1-phenylethyl)amine (2449-49-2,7398-61-0,17279-31-1,19342-01-9)

Guidance literature:

With diphenylsilane; C₂₁H₄₁N₃NiP₂; In acetonitrile; at 120 ℃; for 24h; under 2052.14 Torr; Autoclave;

DOI:10.1039/c8cc05948a

upstream raw materials:

methyl magnesium iodide

diethyl ether

2-(N,N-dimethylamino)-2-phenylacetonitrile

formaldehyd

Downstream raw materials:

α-methyl-N,N-dimethyl-2-hydroxymethylbenzylamine

(S)-dibutphos*HCl

lithium(N,N,α-trimethyl-benzylamine)

benzyldimethyl-1-phenylethylammonium bromide

Refernces

• 1、 Campbell,Houston,Kenyon. "-". . p. 93. Retrieved 1947.
• 2、 Oakes,Sebastian. "". . p. 363,364. Retrieved 1978.
• 3、 Menger,Thanos. "". . p. 3267. Retrieved 1976.
• 4、 Lepley,Becker. "-". . p. 3888. Retrieved 1965.
• 5、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.
• 6、 Liu, Peng,Tung, Nguyen Thanh,Xu, Xiangchao,Yang, Jiazhi,Li, Feng. "N-Methylation of Amines with Methanol in the Presence of Carbonate Salt Catalyzed by a Metal-Ligand Bifunctional Ruthenium Catalyst [(p-cymene)Ru(2,2′-bpyO)(H2O)]". . p. 2621 - 2631. Retrieved 2021/02/27.