1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)methyl)amino)-

Base Information

• Chemical Name: 1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)methyl)amino)-
• CAS No.: 120097-91-8
• Molecular Formula: C₂₂H₂₄N₂O₂
• Molecular Weight: 348.445
• UNII: 5O3I3XEBNQ
• DSSTox Substance ID: DTXSID40152673
• Wikidata: Q83019380
• Mol file: 120097-91-8.mol

Synonyms:120097-91-8;5O3I3XEBNQ;1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)methyl)amino)-;7U85;2-methyl-2-[(7-methylbenzo[c]carbazol-10-yl)methylamino]propane-1,3-diol;7U-85 Hydrochloride;1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)meth yl)amino)-;UNII-5O3I3XEBNQ;SCHEMBL9539120;DTXSID40152673;PD066863;2-methyl-2-(((7-methyl-7H-benzo[c]carbazol-10-yl)methyl)amino)propane-1,3-diol

Chemical Property of 1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)methyl)amino)-

Chemical Property:

• Vapor Pressure: 2.53E-16mmHg at 25°C
• Boiling Point: 621.8°Cat760mmHg
• Flash Point: 329.9°C
• PSA: 57.42000
• Density: 1.21g/cm³
• LogP: 3.70850
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 348.183778013
• Heavy Atom Count: 26
• Complexity: 481

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(CO)NCC1=CC2=C(C=C1)N(C3=C2C4=CC=CC=C4C=C3)C

Technology Process of 1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)methyl)amino)-

There total 7 articles about 1,3-Propanediol, 2-methyl-2-(((7-methyl-7H-benzo(c)carbazol-10-yl)methyl)amino)- 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:

10-bromo-7H-benzo[c]carbazole (1698-16-4) → 2-methyl-2-<<(7-methyl-7H-benzocarbazol-10-yl)methyl>amino>1,3-propanediol (120097-91-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 14.4 percent / NaH / tetrahydrofuran

2: 1.) dimethoxyethane, BuLi / 1.) hexane, from -60 to -55 deg C, 45 min, 2.) hexane, from -55 to 10 deg C

3: 1.) p-TsOH, 2.) NaBH₄ / 1.) toluene, reflux, 2 h, 2.) toluene, EtOH

With sodium tetrahydroborate; n-butyllithium; 1,2-dimethoxyethane; sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran;

DOI:10.1002/jlcr.2580340803

Reference yield:

10-bromo-5,6-dihydro-7H-benzocarbazole (32542-45-3) → 2-methyl-2-<<(7-methyl-7H-benzocarbazol-10-yl)methyl>amino>1,3-propanediol (120097-91-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) NaH / 1.) THF, 45 min, 2.) THF, overnight

2: 95.1 percent / tetrachloro-1,4-benzoquinone / toluene / 3.5 h / Heating

3: 1.) dimethoxyethane, BuLi / 1.) hexane, from -60 to -55 deg C, 45 min, 2.) hexane, from -55 to 10 deg C

4: 1.) p-TsOH, 2.) NaBH₄ / 1.) toluene, reflux, 2 h, 2.) toluene, EtOH

With sodium tetrahydroborate; n-butyllithium; 1,2-dimethoxyethane; chloranil; sodium hydride; toluene-4-sulfonic acid; In toluene;

DOI:10.1002/jlcr.2580340803

Reference yield:

1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → 2-methyl-2-<<(7-methyl-7H-benzocarbazol-10-yl)methyl>amino>1,3-propanediol (120097-91-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 74.3 percent / aq. HCl / 5 h / Heating

2: 1.) NaH / 1.) THF, 45 min, 2.) THF, overnight

3: 95.1 percent / tetrachloro-1,4-benzoquinone / toluene / 3.5 h / Heating

4: 1.) dimethoxyethane, BuLi / 1.) hexane, from -60 to -55 deg C, 45 min, 2.) hexane, from -55 to 10 deg C

5: 1.) p-TsOH, 2.) NaBH₄ / 1.) toluene, reflux, 2 h, 2.) toluene, EtOH

With hydrogenchloride; sodium tetrahydroborate; n-butyllithium; 1,2-dimethoxyethane; chloranil; sodium hydride; toluene-4-sulfonic acid; In toluene;

DOI:10.1002/jlcr.2580340803

upstream raw materials:

2-Amino-2-methylpropane-1,3-diol

7-methyl-7H-benzocarbazole-10-carbaldehyde

10-bromo-7H-benzo[c]carbazole

10-bromo-5,6-dihydro-7H-benzocarbazole