4-Benzyloxybenzylamine

Base Information

• Chemical Name: 4-Benzyloxybenzylamine
• CAS No.: 22171-15-9
• Molecular Formula: C14H15 N O
• Molecular Weight: 213.279
• Hs Code.: 2922199090
• European Community (EC) Number: 687-791-1
• ChEMBL ID: CHEMBL146898
• DSSTox Substance ID: DTXSID80401632
• Wikidata: Q82204837
• Mol file: 22171-15-9.mol

Synonyms:4-Benzyloxybenzylamine;22171-15-9;(4-(benzyloxy)phenyl)methanamine;(4-phenylmethoxyphenyl)methanamine;4-Benzyloxy-benzylamine;[4-(benzyloxy)phenyl]methanamine;1-[4-(benzyloxy)phenyl]methanamine;CHEMBL146898;MFCD03410962;4-(benzyloxy)benzylamine;p-benzyloxybenzyl amine;SCHEMBL119690;DTXSID80401632;AB6299;BDBM50408779;AKOS000131977;SB77212;NCGC00328927-01;SY081279;TS-00437;BB 0243004;FT-0753995;EN300-33079;AB01322647-02;A815989;J-014564;Ethyl 2-nitro-4-(trifluoromethyl)phenylsulfonylcarbamate;F2158-0084

Chemical Property of 4-Benzyloxybenzylamine

Chemical Property:

• PSA: 35.25000
• LogP: 3.42460
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

99.90% ^*data from raw suppliers

[4-(Benzyloxy)benzyl]amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CN

Technology Process of 4-Benzyloxybenzylamine

There total 20 articles about 4-Benzyloxybenzylamine 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%

4-benzyloxybenzonitrile (52805-36-4) → 4-(benzyloxy)benzylamine (22171-15-9)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In diethyl ether; at 25 ℃; for 2h;

DOI:10.1016/S0031-9422(97)00362-2

Reference yield: 90.0%

p-benzyloxybenzaldehyde (4397-53-9) → 4-(benzyloxy)benzylamine (22171-15-9)

Guidance literature:

With ammonia; hydrogen; In tert-butyl alcohol; at 120 ℃; for 15h;

DOI:10.1126/science.aan6245

Reference yield: 81.0%

1-(4-(benzyloxy)benzyl)-3,4-diphenyl-1H-pyrrole-2,5-dione → 4-(benzyloxy)benzylamine (22171-15-9)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 90 ℃; for 10h;

upstream raw materials:

p-benzyloxybenzaldehyde

4-benzyloxybenzonitrile

4-benzyloxybenzaldehyde oxime

N-(4-Benzyloxy-benzyl)-2,2,2-trifluoro-acetamide

Downstream raw materials:

(4-Benzyloxy-benzyl)-cyclopentyl-amine

N-(4-Benzyloxy-benzyl)-formamide

N-(4'-benzyloxybenzyl)-2-bromo-4-benzyloxy-5-methoxyphenylacetamide

2-(4-benzyloxybenzyl)-1,4-dihydro-6-methoxy-7-benzyloxy-3-(2H)-isoquinolone

Refernces

• 1、 Beller, Matthias,Chandrashekhar, Vishwas G.,Jagadeesh, Rajenahally V.,Jiao, Haijun,Murugesan, Kathiravan,Wei, Zhihong. "General and selective synthesis of primary amines using Ni-based homogeneous catalysts". . p. 4332 - 4339. Retrieved 2020/05/18.
• 2、 Formenti, Dario,Mocci, Rita,Atia, Hanan,Dastgir, Sarim,Anwar, Muhammad,Bachmann, Stephan,Scalone, Michelangelo,Junge, Kathrin,Beller, Matthias. "A State-of-the-Art Heterogeneous Catalyst for Efficient and General Nitrile Hydrogenation". supporting information. p. 15589 - 15595. Retrieved 2020/10/02.