3,4,5-Trimethoxybenzylamine

Base Information

• Chemical Name: 3,4,5-Trimethoxybenzylamine
• CAS No.: 18638-99-8
• Molecular Formula: C10H15NO3
• Molecular Weight: 197.234
• Hs Code.: 29222990
• European Community (EC) Number: 242-468-0
• NSC Number: 101336
• UNII: 5DZ6S2AB35
• DSSTox Substance ID: DTXSID10171891
• Nikkaji Number: J222.259K
• Wikidata: Q72513730
• Mol file: 18638-99-8.mol

Synonyms:3,4,5-Trimethoxybenzylamine;18638-99-8;(3,4,5-Trimethoxyphenyl)methanamine;1-(3,4,5-trimethoxyphenyl)methanamine;Benzenemethanamine, 3,4,5-trimethoxy-;5DZ6S2AB35;3,4,5-(Trimethoxy)benzylamine;EINECS 242-468-0;NSC-101336;NSC101336;NCIOpen2_001669;UNII-5DZ6S2AB35;SCHEMBL111191;3,4,5-trimethoxy benzylamine;3,4,5-trimethoxybenzyl amine;DTXSID10171891;3,4,5-Trimethoxybenzylamine, 98%;MFCD00017150;STK873740;AKOS000264245;FMOC-(S)-b-(p-methoxyphenyl)alanine;CS-W015674;DS-3882;NSC 101336;(3,4,5-Trimethoxyphenyl)methanamine #;3,4,5-TRIMETHOXYPHENYLMETHYLAMINE;3,4,5-TRIMETHOXYBENZENEMETHANAMINE;FT-0614168;T3087;EN300-34355;J-511114;F2167-0160;W0S

Chemical Property of 3,4,5-Trimethoxybenzylamine

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Vapor Pressure: 5.92E-06mmHg at 25°C
• Melting Point: 227-229 °C(Solv: N,N-dimethylformamide (68-12-2))
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 379.3 °C at 760 mmHg
• PKA: 9.25±0.10(Predicted)
• Flash Point: 139.1 °C
• PSA: 53.71000
• Density: 1.087 g/cm³
• LogP: 1.87140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.10519334
• Heavy Atom Count: 14
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4,5-Trimethoxybenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn， C
• Hazard Codes: Xn,C
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CN
• Uses: 3,4,5-Trimethoxybenzylamine is used to study the structure-property relationships of surfaces that resist the adsorption of protein.

Technology Process of 3,4,5-Trimethoxybenzylamine

There total 10 articles about 3,4,5-Trimethoxybenzylamine 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: 99.0%

→ 3,4,5-trimethoxybenzylamine (18638-99-8)

Guidance literature:

With ammonia; hydrogen; In methanol; at 90 ℃; for 4h; under 15001.5 Torr; Autoclave;

Reference yield: 92.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) → 3,4,5-trimethoxybenzylamine (18638-99-8)

Guidance literature:

With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; chemoselective reaction;

DOI:10.1039/d0sc01084g

Reference yield: 90.0%

3,4,5-trimethoxybenzaldehyde oxime (39201-89-3) → 3,4,5-trimethoxybenzylamine (18638-99-8)

Guidance literature:

With ammonium formate; zinc; In methanol; for 0.0833333h; Heating;

upstream raw materials:

3,4,5-trimethoxybenzamide

N-methyl-3,4,5-trimethoxybenzamide

3,4,5-trimethoxybenzonitrile

ethanol

Downstream raw materials:

3,4,5-trimethoxybenzyltrimethylammonium iodide

3-Nitro-6-(3,4,5-trimethoxy-benzylamino)-pyridine-2-carbonitrile

methyl 5-(3,4,5-trimethoxybenzylamino)-2,4-pentadienoate

3,4,5-trimethoxybenzonitrile

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、 Cui, Zhibing,Liu, Jianguo,Liu, Qiying,Ma, Longlong,Singh, Thishana,Wang, Chenguang,Wang, Nan,Zhu, Yuting. "Facile synthesis of controllable graphene-co-shelled reusable Ni/NiO nanoparticles and their application in the synthesis of amines under mild conditions". supporting information. p. 7387 - 7397. Retrieved 2020/11/19.