4-tert-Butoxybenzylamine

Base Information

• Chemical Name: 4-tert-Butoxybenzylamine
• CAS No.: 84697-13-2
• Molecular Formula: C11H17 N O
• Molecular Weight: 179.262
• Hs Code.: 2922199090
• European Community (EC) Number: 283-723-6
• DSSTox Substance ID: DTXSID90233704
• Nikkaji Number: J309.085J
• Wikidata: Q83115349
• Mol file: 84697-13-2.mol

Synonyms:84697-13-2;(4-(tert-Butoxy)phenyl)methanamine;4-TERT-BUTOXY-BENZYLAMINE;4-tert-Butoxybenzylamine;(4-tert-butoxyphenyl)methanamine;[4-(tert-butoxy)phenyl]methanamine;[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;EINECS 283-723-6;MFCD06213869;Benzenemethanamine, 4-(1,1-dimethylethoxy)-;4-t-ButoxybenZylamine;4-Tert-butoxybenzeneMethanaMine;SCHEMBL2369731;DTXSID90233704;AMY36746;AKOS008119111;AB23467;1-HYDROXY-2-CHLOROINDANE,TRANSISOMER;FT-0690942;(4-tert-Butoxyphenyl)methanamine, AldrichCPR;EN300-55516;A840895;Z362795762

Chemical Property of 4-tert-Butoxybenzylamine

Chemical Property:

• Vapor Pressure: 0.00687mmHg at 25°C
• Boiling Point: 270.4°C at 760 mmHg
• Flash Point: 111.2°C
• PSA: 35.25000
• Density: 0.979g/cm³
• LogP: 3.02290
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

[4-(tert-butoxy)phenyl]methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)CN

Technology Process of 4-tert-Butoxybenzylamine

There total 3 articles about 4-tert-Butoxybenzylamine 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: 98.0%

tert-butyl 4-cyanophenyl ether (185259-36-3) → (4-(tert-butoxy)phenyl)methanamine (84697-13-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h; Reflux;

DOI:10.1021/jm801018u

Reference yield: 87.0%

tertiary butyl chloride (507-20-0) + 4-aminomethylphenol (696-60-6) → (4-(tert-butoxy)phenyl)methanamine (84697-13-2)

Guidance literature:

With zinc; at 25 ℃; for 1h;

Reference yield:

4-cyanophenol (767-00-0) → (4-(tert-butoxy)phenyl)methanamine (84697-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / BF₃*Et₂O / cyclohexane; diethyl ether / 22 h

2: 94 percent / LiAlH₄ / diethyl ether / 3 h / Heating

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate; In diethyl ether; cyclohexane;

DOI:10.1002/(SICI)1521-3765(19980807)4:8<1570::AID-CHEM1570>3.0.CO;2-2

upstream raw materials:

tert-butyl 4-cyanophenyl ether

tertiary butyl chloride

4-aminomethylphenol

4-cyanophenol