1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene
Product Information
Molecular Formula
C24H28 N2
Molecular Weight
344.4925
Description
1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene serves as an intermediate compound in pharmaceutical manufacturing. It plays a crucial role in the synthesis of detomidine, a sedative and analgesic drug utilized in small scale surgeries and treatment of chronic pain.
Synonyms
4,4'-(1,3-PHENYLENEDIISOPROPYLIDENE)BISANILINE; LABOTEST-BB LT00159395; BISANILINE M; 4,4'-[1,3-Phenylenebis(1-methyl-1,1-ethanediyl)]bisaniline; 4,4'-[1,3-Phenylenebis(1-methylethane-1,1-diyl)]bisaniline; 4,4'-[1,3-Phenylenebis(1-methylethane-1,1-diyl)]diani
IUPAC Name
4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
SMILES
CC(C)(C1=CC=C(C=C1)N)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)N
InChI
InChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3
InChI Key
KWOIWTRRPFHBSI-UHFFFAOYSA-N
Boiling Point
501.0±50.0 °C(Predicted)
Melting Point
110-114 °C(lit.)
Purity
>98.0%(GC)(T)
Density
1.074 g/cm3
Appearance
White to Light yellow powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
6.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
344.225248902 g/mol
Monoisotopic Mass
344.225248902 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
399
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022000518-A | Polyimide and polyimide precursor | 2021-09-17 |
| JP-2021080459-A | Resin composition, prepreg, laminated board and multi-layer printed wiring board | 2021-01-26 |
| JP-2021075729-A | Resin composition, prepreg, laminated board and multi-layer printed wiring board | 2021-01-26 |
| CN-112175636-A | Liquid crystal orientation agent and application thereof | 2020-09-25 |
| WO-2022049070-A1 | Electrically conductive epoxy resin coating and electrostatically dissipative floor | 2020-09-01 |
| WO-2022049071-A1 | Transparent electrically conductive epoxy resin coating and electrostatic dissipative floor | 2020-09-01 |
| WO-2022049911-A1 | Radiation-sensitive resin composition and pattern formation method | 2020-09-01 |
| JP-2022041941-A | Method for producing the composition | 2020-08-31 |
| JP-2022041942-A | the film | 2020-08-31 |
| JP-2022041943-A | Composition | 2020-08-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5429 | 1976-02-01 | Studies on barley trypsin inhibitor. II. Structural changes induced by denaturants and their reversibility | Journal of biochemistry |
