N-Benzyldiethanolamine

Base Information

• Chemical Name: N-Benzyldiethanolamine
• CAS No.: 101-32-6
• Molecular Formula: C11H17 N O2
• Molecular Weight: 195.261
• Hs Code.: 2922199090
• European Community (EC) Number: 202-934-6
• NSC Number: 60297
• DSSTox Substance ID: DTXSID50143618
• Nikkaji Number: J12D
• Wikidata: Q72441380
• ChEMBL ID: CHEMBL425114
• Mol file: 101-32-6.mol

Synonyms:101-32-6;N-Benzyldiethanolamine;2,2'-(benzylazanediyl)diethanol;2,2'-(Benzylimino)diethanol;BENZYLDIETHANOLAMINE;2-[Benzyl(2-hydroxyethyl)amino]-1-ethanol;Ethanol, 2,2'-(benzylimino)di-;2,2-(BENZYLIMINO)DIETHANOL;N,N-Bis(2-hydroxyethyl)benzylamine;Ethanol, 2,2'-[(phenylmethyl)imino]bis-;2-[benzyl(2-hydroxyethyl)amino]ethan-1-ol;2-[2-Hydroxyethyl(phenylmethyl)amino]ethanol;2-[benzyl(2-hydroxyethyl)amino]ethanol;Benzylbis(2-hydroxyethyl)amine;EINECS 202-934-6;2,2'-((Phenylmethyl)imino)bisethanol;BRN 2211596;Ethanol, 2,2'-((phenylmethyl)imino)bis-;AI3-26798;2,2'-(Benzylimino)-diethanol;2,2/'-(BENZYLIMINO)DIETHANOL;N-Benzyl-N,N-bis(2-hydroxyethyl)amine;4-12-00-02200 (Beilstein Handbook Reference);2,2'-[(phenylmethyl)imino]bisethanol;NSC60297;N-benzyl diethanolamine;N-benzyl-diethanolamine;2,2'-Benzyliminobisethanol;Cambridge id 5465378;Oprea1_215048;SCHEMBL79747;Ethanol,2'-(benzylimino)di-;Bis(2-hydroxyethyl)benzylamine;AMY722;CHEMBL425114;Bis-(2-hydroxyethyl)-benzylamine;DTXSID50143618;HMS1581H19;ADAL1037318;MFCD00020587;N,N-bis(2-hydroxyethyl)benzyl amine;NSC 60297;NSC-60297;AKOS005070831;Ethanol,2'-[(phenylmethyl)imino]bis-;N-benzyl-N,N-di(2-hydroxyethyl)amine;N,N-bis(2-hydroxyethyl)-N-benzylamine;2,2'-(Benzylimino)diethanol, >=99%;LS-66477;B5081;BB 0305929;CS-0000081;FT-0610885;2,2'-(BENZYLAZANEDIYL)BIS(ETHAN-1-OL);6X-0943;J-506705

Chemical Property of N-Benzyldiethanolamine

Chemical Property:

• Appearance/Colour: colorless or light yellow liquid
• Vapor Pressure: 2.36E-05mmHg at 25°C
• Melting Point: 196.5 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.562
• Boiling Point: 345.3 °C at 760 mmHg
• PKA: 14.39±0.10(Predicted)
• Flash Point: 177.6 °C
• PSA: 43.70000
• Density: 1.121 g/cm³
• LogP: 0.47320
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 129

Purity/Quality:

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

2,2''-(Benzylazanediyl)diethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CCO)CCO
• Uses: 2,2'-(Benzylazanediyl)diethanol is a useful research chemical.

Technology Process of N-Benzyldiethanolamine

There total 18 articles about N-Benzyldiethanolamine 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: 100.0%

benzyl bromide (100-39-0) + 2,2'-iminobis[ethanol] (111-42-2) → N-benzyl-diethanolamine (101-32-6)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

Reference yield: 91.8%

benzyl chloride (100-44-7) + 2,2'-iminobis[ethanol] (111-42-2) → N-benzyl-diethanolamine (101-32-6)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; for 12h; Inert atmosphere; Reflux;

Reference yield: 71.0%

→ 4-(2,5-dimethylphenyl)-1-benzylpiperazine (219685-33-3) + 1-(2,5-dimethylphenyl)piperazine (1013-25-8)

Guidance literature:

upstream raw materials:

oxirane

benzylamine

benzyl chloride

2,2'-iminobis[ethanol]

Downstream raw materials:

6-benzyl-2-phenyl-[1,3,6,2]dioxazaborocane

1-benzyl-1-aza-18-crown-6

1-methylindole

2,3-benzo-10-benzyl-10-aza-1,4,7,13-tetraoxa-2-cyclopentadecene

Refernces

• 1、 Sonoda, Akinari,Takagi, Norio,Ooi, Kenta,Hirotsu, Takahiro. "Complex Formation between Boric Acid and Triethanolamine in Aqueous Solutions". . p. 161 - 166. Retrieved 1998.
• 2、 Shen, Yongcun,Feng, Xiaoming,Li, Yan,Zhang, Guolin,Jiang, Yaozhong. "A mild and efficient cyanosilylation of ketones using in situ generated n-oxides-ti(iPrO)4 complexes as catalysts". . p. 793 - 795. Retrieved 2002.
• 3、 Gokel, George W.,Hernandez, Jeanette C.,Viscariello, Anthony M.,Arnold, Kristin A.,Campana, Charles F.,et. al.. "Steroidal Lariat Ethers: A New Class of Macrocycles and the Crystal Structure of N-(Cholesteryloxycarbonyl)aza-15-crown-5". . p. 2963 - 2968. Retrieved 1987.
• 4、 -. "Compound serving as SHP2 inhibitor and application thereof". Paragraph 0238; 0240-0242. . Retrieved 2021/05/12.
• 5、 -. "Pyrazinothiazole compound and application thereof, and pharmaceutical composition containing pyrazinothiazole compound". Paragraph 0151-0154; 0155-0157. . Retrieved 2020/11/09.