Benzylamine-15N

Base Information

• Chemical Name: Benzylamine-15N
• CAS No.: 42927-57-1
• Molecular Formula: C7H9 N
• Molecular Weight: 108.148
• European Community (EC) Number: 687-198-8
• DSSTox Substance ID: DTXSID40434784
• Nikkaji Number: J1.257.253K
• Wikidata: Q82249293
• Mol file: 42927-57-1.mol

Synonyms:Benzylamine-15N;phenylmethan(15N)amine;42927-57-1;a-Aminotoluene-15N;Benzenemethanamine-15N;15N Labeled benzylamine;SCHEMBL1331207;DTXSID40434784;Benzylamine-15N, 98 atom % 15N;AKOS015889160

Chemical Property of Benzylamine-15N

Chemical Property:

• Melting Point: 10 °C(lit.)
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 184-185 °C(lit.)
• Flash Point: 140 °F
• PSA: 26.02000
• Density: 0.990 g/mL at 25 °C
• LogP: 1.84560
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.070534185
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

97% ^*data from raw suppliers

Benzenemethanamine-15N ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 20/21/22-34-21/22
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN
• Isomeric SMILES: C1=CC=C(C=C1)C[15NH2]

Technology Process of Benzylamine-15N

There total 7 articles about Benzylamine-15N 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: 93.0%

15N-benzamide (31656-62-9) → 15N-benzylamine (42927-57-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 12h; Heating;

DOI:10.1021/ja010489b

Reference yield: 91.0%

N-Benzyl-4,4'-dimethoxytrityl(15N)amine → 15N-benzylamine (42927-57-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 3h;

Reference yield:

<15N>-N-benzylphthalimide (159718-59-9) → 15N-benzylamine (42927-57-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Inert atmosphere; Heating;

DOI:10.1039/b813237b

upstream raw materials:

¹⁵N-benzamide

benzyl chloride

C₈H₉⁽¹⁵⁾NO

<15N>-N-benzylphthalimide

Downstream raw materials:

2-benzyl<(15)N>amino-2-deoxy<2-(13)C>-D-glucononitrile

6-N⁶-Benzyl(6-⁽¹⁵⁾N)adenosine

⁽¹⁵⁾N bis(4-iodobenzyl)-benzylamine

(1S,2S)-15N-(1-(benzylamino)-1-(4-fluorophenyl)-3-methylbutan-2-yl)-4-nitrobenzenesulfonamide

Refernces

• 1、 Belov, Vladimir,K?fferlein, Heiko U.. "Total synthesis of 13C2,15N-imidacloprid with three stable isotopes in the pyridine ring". . p. 126 - 131. Retrieved 2019/01/24.
• 2、 Berger, Gilles,Gelbcke, Michel,Cau?t, Emilie,Luhmer, Michel,Nève, Jean,Dufrasne, Fran?ois. "Synthesis of 15N-labeled vicinal diamines through N-activated chiral aziridines: Tools for the NMR study of platinum-based anticancer compounds". supporting information. p. 545 - 548. Retrieved 2013/02/23.