(3-Isopropoxyphenyl)methanamine

Base Information

• Chemical Name: (3-Isopropoxyphenyl)methanamine
• CAS No.: 400771-44-0
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• European Community (EC) Number: 811-364-2
• DSSTox Substance ID: DTXSID00959509
• Wikidata: Q82940293
• ChEMBL ID: CHEMBL4590692
• Mol file: 400771-44-0.mol

Synonyms:(3-isopropoxyphenyl)methanamine;400771-44-0;1-(3-Isopropoxyphenyl)methanamine;(3-isopropoxybenzyl)amine;(3-propan-2-yloxyphenyl)methanamine;[3-(propan-2-yloxy)phenyl]methanamine;3-Isopropoxybenzylamine;MFCD04037891;1-[3-(propan-2-yloxy)phenyl]methanamine;Benzenemethanamine, 3-(1-methylethoxy)-;3-(isopropoxy)benzylamine;3-isopropoxyphenylmethanamine;SCHEMBL756850;CHEMBL4590692;DTXSID00959509;YRNFZPXUBVUYBJ-UHFFFAOYSA-N;BBL023365;STK804190;AKOS000139297;FS-1727;SB76418;s11094;1-{3-[(Propan-2-yl)oxy]phenyl}methanamine;AM20040392;BB 0218124;CS-0117070;FT-0659643;EN300-44093;1-(3-isopropoxyphenyl)methanamine, AldrichCPR;A873469

Chemical Property of (3-Isopropoxyphenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Boiling Point: 70℃/0.05mm
• PKA: 9.12±0.10(Predicted)
• PSA: 35.25000
• Density: 0.990±0.06 g/cm3(Predicted)
• LogP: 2.63280
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

98%min ^*data from raw suppliers

(3-Isopropoxyphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (3-Isopropoxyphenyl)methanamine

There total 2 articles about (3-Isopropoxyphenyl)methanamine 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: 82.0%

C10H13NO2 (1331566-81-4) → 3-propan-2-yloxyphenylmethanamine (400771-44-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 4h; Reflux;

DOI:10.1134/S1070428010070110

Reference yield:

3-isopropoxybenzonitrile (363185-45-9) → 3-propan-2-yloxyphenylmethanamine (400771-44-0)

Guidance literature:

With hydrogen; Raney Nickel; In ethanol; for 3h; under 2068.65 Torr;

Reference yield: 84.0%

phenyl 4-(pyridin-4-yl)thiazol-2-ylcarbamate (1342277-18-2) + 3-propan-2-yloxyphenylmethanamine (400771-44-0) → 1-(3-isopropoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea (1342278-16-3)

Guidance literature:

In tetrahydrofuran; at 100 ℃; for 0.333333h; under 11377.6 Torr; Microwave irradiation; Autoclave;

DOI:10.1039/c2md00320a

upstream raw materials:

3-isopropoxybenzonitrile

C₁₀H₁₃NO₂

Downstream raw materials:

4-chloro-6-(3-isopropoxy-benzylamino)-2H-phthalazin-1-one

C₂₆H₃₂N₆O₄

1-(3-isopropoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea

(5R,7S)-4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

Refernces

• 1、 Musatov,Starodubtseva,Turova,Kurilov,Vinogradov,Rakishev,Struchkova. "Comparison of different reducing systems in the synthesis of functionally substituted benzylamines from alkyl aryl ketones and aromatic aldehydes". experimental part. p. 1021 - 1028. Retrieved 2010/11/03.