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2,2-Bis(3-amino-4-hydroxyphenyl)propane

2,2-Bis(3-amino-4-hydroxyphenyl)propane structure

CAS No:
1220-78-6
Formula:
C15H18N2O2
Chemical Name:
2,2-Bis(3-amino-4-hydroxyphenyl)propane
Synonyms:
2,2-BIS-(3-AMINO-4-HYDROXYPHENYL)PROPANE;2,2-Bis(3-amino-4-hydroxylphenyl)propane;4,4'-(Propane-2,2-diyl)bis(2-aMinophenol);Phenol,4,4'-(1-Methylethylidene)bis[2-aMino-;2,2-Bis(3-aMino-4-hydroxylphenyl)propane(BAP);2,2-BIS[4-HYDROXYL-3-AMINOPHENYL]PROPANE(BHAPP);2-amino-4-[2-(3-amino-4-hydroxyphenyl)propan-2-yl]phenol;2-azanyl-4-[2-(3-azanyl-4-hydroxy-phenyl)propan-2-yl]phenol;2-amino-4-[1-(3-amino-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,2-Bis(3-amino-4-hydroxyphenyl)propane Basic Attributes

Molecular Weight：

258.32

Exact Mass：

258.136841

EC Number：

1312995-182-4

NSC Number：

10847

DSSTox ID：

DTXSID00278969

HScode：

29222990

Characteristics

PSA：

92.5

XLogP3：

2.6

Appearance：

Slight yellow powder

Density：

1.265±0.06 g/cm3(Predicted)

Melting Point：

248-250 °C

Boiling Point：

471.1±45.0 °C(Predicted)

Flash Point：

238.7±28.7 °C

Refractive Index：

1.674

Vapor Pressure：

1.7E-09mmHg at 25°C

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,2-Bis(3-amino-4-hydroxyphenyl)propane Use and Manufacturing

Thedinitro compound (2) (10, 000 g, 0.0314 mol) was heated to reflux inabsolute ethanol (100 mL) in the presence of wet 10percent Pd/C catalyst(0.650 g). Hydrazine monohydrate (20 mL) was then added dropwiseover a period of 30 min, and the reaction was maintained at reflux for24 h. The hot solution was filtered through Celite® to eliminate thecatalyst and partially concentrated under reduced pressure. Afterwards, the concentrate was poured into cold distilled water. The crude productwas filtered, washed with water, dried under vacuum and recrystallizedtwice from methanol to give (3). The diamino compound was obtainedas a white powder: yield: 88percent; mp. 263 °C (DSC); Analysis: Calculatedfor C15H18N2O2: C, 69.74percent; H, 7.02percent; N, 10.84percent. Found: C, 69.35percent;H, 7.15percent; N, 11.02percent. 1H NMR (400 MHz, DMSO‑d6): δ (ppm); 8.57 (s, 1H, OH), 6.43 (d, J=8.1 Hz, 1H, Har), 6.34 (d, J=1.8 Hz, 1H, Har), 6.21 (dd, J=8.1 Hz, 1.8 Hz, 1H, Har), 4.23 (s, 2H, NH) 1.37 (s, 3H, CH3f). 13C NMR (100 MHz, DMSO‑d6): δ (ppm) 142.4, 141.4, 135.4, 114.4, 113.5, 113.4, 40.8, 30.9.

Computed Properties

Molecular Weight:258.32
XLogP3:2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:258.136827821
Monoisotopic Mass:258.136827821
Topological Polar Surface Area:92.5
Heavy Atom Count:19
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-Bis(3-amino-4-hydroxyphenyl)propane

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2,2-Bis(3-amino-4-hydroxyphenyl)propane

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