Benzenepropanol, beta-amino-4-methyl-

Base Information

• Chemical Name: Benzenepropanol, beta-amino-4-methyl-
• CAS No.: 35373-66-1
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.235
• Hs Code.: 2922190090
• DSSTox Substance ID: DTXSID401304091
• Mol file: 35373-66-1.mol

Synonyms:b-Amino-4-methylbenzenepropanol;35373-66-1;Benzenepropanol, beta-amino-4-methyl-;2-amino-3-(4-methylphenyl)propan-1-ol;SCHEMBL7991881;KGABCHNHTDSRSH-UHFFFAOYSA-N;DTXSID401304091;AKOS006305021;AB89488;2-amino-3-(4-methyl-phenyl)-1-propanol;C78159;EN300-170890

Chemical Property of Benzenepropanol, beta-amino-4-methyl-

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

b-Amino-4-methylbenzenepropanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC(CO)N

Technology Process of Benzenepropanol, beta-amino-4-methyl-

There total 2 articles about Benzenepropanol, beta-amino-4-methyl- 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: 67.0%

2-amino-2-(4-methylphenyl)acetic acid (13227-01-5) → 2-amino-3-(4-methylphenyl)propanol (35373-66-1,875550-41-7)

Guidance literature:

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

DOI:10.1021/jm00365a003

Reference yield:

→ 2-amino-3-(4-methylphenyl)propanol (35373-66-1,875550-41-7)

Guidance literature:

entspr. Aminosaeure;

DOI:10.1021/bi00801a032

Reference yield: 62.0%

2-amino-3-(4-methylphenyl)propanol (35373-66-1,875550-41-7) + (E)-3-(2,4-Dihydroxy-6-methyl-pyrimidin-5-yl)-acrylic acid (28277-67-0) → (E)-3-(2,4-Dihydroxy-6-methyl-pyrimidin-5-yl)-N-(1-hydroxymethyl-2-p-tolyl-ethyl)-acrylamide (86886-22-8)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In N,N-dimethyl-formamide; at 35 ℃; for 72h; Heating;

DOI:10.1021/jm00365a003

upstream raw materials:

2-amino-2-(4-methylphenyl)acetic acid

Downstream raw materials:

(E)-3-(2,4-Dihydroxy-6-methyl-pyrimidin-5-yl)-N-(1-hydroxymethyl-2-p-tolyl-ethyl)-acrylamide