3-(Dibenzylamino)-1-propanol

Base Information

• Chemical Name: 3-(Dibenzylamino)-1-propanol
• CAS No.: 3161-51-1
• Molecular Formula: C17H21 N O
• Molecular Weight: 255.36
• Hs Code.: 2922199090
• European Community (EC) Number: 621-893-9
• DSSTox Substance ID: DTXSID30403282
• Nikkaji Number: J147.346H
• Wikidata: Q72446791
• Mol file: 3161-51-1.mol

Synonyms:3-(Dibenzylamino)-1-propanol;3-(dibenzylamino)propan-1-ol;3161-51-1;N-(3-Hydroxypropyl)dibenzylamine;MFCD00075550;3-dibenzylaminopropanol;1-Propanol, 3-[bis(phenylmethyl)amino]-;3-dibenzylamino-propan-1-ol;SCHEMBL140525;DTXSID30403282;LKOXRTJFYFGTKJ-UHFFFAOYSA-N;ADAL1016051;3-(Dibenzylamino)-1-propanol, 99%;AKOS005885588;3-[Bis(phenylmethyl)amino]-1-propanol;AS-59285;SY239928;CS-0156315;A901320;J-018495

Chemical Property of 3-(Dibenzylamino)-1-propanol

Chemical Property:

• Vapor Pressure: 9.63E-07mmHg at 25°C
• Refractive Index: n20/D 1.562(lit.)
• Boiling Point: 388.8oC at 760 mmHg
• PKA: 15.01±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 23.47000
• Density: 1.037 g/mL at 25oC(lit.)
• LogP: 3.07120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 255.162314293
• Heavy Atom Count: 19
• Complexity: 199

Purity/Quality:

98%Min ^*data from raw suppliers

3-(Dibenzylamino)-1-propanol 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CCCO)CC2=CC=CC=C2

Technology Process of 3-(Dibenzylamino)-1-propanol

There total 8 articles about 3-(Dibenzylamino)-1-propanol 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%

allyl alcohol (107-18-6) + dibenzylamine (103-49-1) → 3-(N,N-dibenzylamino)-1-propanol (3161-51-1)

Guidance literature:

With potassium phosphate; [(bis(2-dicyclohexylphosphinoethyl)amine)Fe(CO)Br₂]; sodium triethylborohydride; In cyclohexane; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.9b05221

Reference yield: 90.0%

benzyl bromide (100-39-0) + propan-1-ol-3-amine (156-87-6) → 3-(N,N-dibenzylamino)-1-propanol (3161-51-1)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 12h;

DOI:10.1016/j.tetasy.2007.10.038

Reference yield: 90.0%

3-benzyl-2-phenyl-1,3-oxazinane (128017-04-9) → 3-(N,N-dibenzylamino)-1-propanol (3161-51-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1055/s-1990-26819

upstream raw materials:

dibenzylamine

1-bromo-3-propanol

trimethylene oxide

3-benzyl-2-phenyl-1,3-oxazinane

Downstream raw materials:

1-(N,N-dibenzylamino)-3-iodopropane

3-(dibenzylamino)propyl 2,2,4,4-tetramethyloxazolidine-3-carboxylate

3-(dibenzylamino)propyl methane sulfonate

tert-butyl (4-((3-(dibenzylamino)propyl)amino)butyl)carbamate

Refernces

• 1、 Das, Kuhali,Sarkar, Koushik,Maji, Biplab. "Manganese-Catalyzed Anti-Markovnikov Hydroamination of Allyl Alcohols via Hydrogen-Borrowing Catalysis". . p. 7060 - 7069. Retrieved 2021/06/30.
• 2、 Ma, Wei,Zhang, Xiaohui,Fan, Juan,Liu, Yuxuan,Tang, Weijun,Xue, Dong,Li, Chaoqun,Xiao, Jianliang,Wang, Chao. "Iron-Catalyzed Anti-Markovnikov Hydroamination and Hydroamidation of Allylic Alcohols". supporting information. p. 13506 - 13515. Retrieved 2019/09/09.