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Name |
3-Bromo-2,2-dimethyl-1-propanol |
EINECS | N/A |
CAS No. | 40894-00-6 | Density | 1.371 g/cm3 |
PSA | 20.23000 | LogP | 1.39980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H11BrO | Boiling Point | 189.7 °C at 760 mmHg |
Molecular Weight | 167.046 | Flash Point | 75.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,2-Dimethyl-3-bromo-1-propanol;3-Bromo-2,2-dimethylpropanol;3-Bromoneopentylalcohol;NSC 127921; |
Article Data | 18 |
2,2-Dimethyl-1,3-propanediol
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With pyridine; bromine; triphenylphosphine In chloroform for 12h; Ambient temperature; | 88% |
Stage #1: 2,2-Dimethyl-1,3-propanediol With hydrogen bromide at 110℃; for 1h; Stage #2: With acetic acid at 110℃; for 11h; | 45% |
Stage #1: 2,2-Dimethyl-1,3-propanediol With hydrogen bromide; acetic acid at 110℃; for 12h; Stage #2: With lithium hydroxide In 1,2-dimethoxyethane; water at 25℃; for 3h; | 45% |
5.5-dimethyl-1,3,2-dioxathiane-2-oxide
diethyl ether
A
biphenyl
B
3-bromo-2,2-dimethyl-propan-1-ol
C
1,1'-sulfinylbisbenzene
acetic acid (3-bromo-2,2-dimethyl-1-propyl)ester
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With ethanol; hydrogen bromide |
3,3-dimethyloxetane
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With hydrogen bromide |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With butyltriethylammonium hydrogen sulfate In N,N-dimethyl-formamide at 100℃; |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
In benzene Heating; |
acetic acid
2,2-Dimethyl-1,3-propanediol
A
3-bromo-2,2-dimethyl-propan-1-ol
B
acetic acid (3-bromo-2,2-dimethyl-1-propyl)ester
Conditions | Yield |
---|---|
With hydrogen bromide for 8h; Heating; Title compound not separated from byproducts; |
2,2-Dimethyl-1,3-propanediol
A
3-bromo-2,2-dimethyl-propan-1-ol
B
acetic acid (3-bromo-2,2-dimethyl-1-propyl)ester
Conditions | Yield |
---|---|
With lithium hydroxide; hydrogen bromide; acetic acid 1.) reflux, 8 h, 2.) water, DME, 3 h; Yield given. Multistep reaction; |
hydrogen bromide
2,2-Dimethyl-1,3-propanediol
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
at 100℃; |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With potassium hydroxide auf dem Wasserbad; |
The CAS register number of 3-Bromo-2,2-dimethyl-1-propanol is 40894-00-6. It also can be called as 1-Propanol,3-bromo-2,2-dimethyl- and the IUPAC name about this chemical is 3-bromo-2,2-dimethylpropan-1-ol. The molecular formula about this chemical is C5H11BrO and molecular weight is 167.04. It belongs to the following product categories, such as Industrial/Fine Chemicals; Alcohols; C2 to C6; Oxygen Compounds and so on.
Physical properties about 3-Bromo-2,2-dimethyl-1-propanol are: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 3.59; (5)ACD/BCF (pH 7.4): 3.59; (6)ACD/KOC (pH 5.5): 86.82; (7)ACD/KOC (pH 7.4): 86.82; (8)#H bond acceptors: 1; (9)#H bond dnoors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 34.44 cm3; (14)Molar Volume: 121.8 cm3; (15)Polarizability: 13.65x10-24cm3; (16)Surface Tension: 34.4 dyne/cm; (17)Enthalpy of Vaporization: 49.57 kJ/mol; (18)Boiling Point: 189.7 °C at 760 mmHg; (19)Vapour Pressure: 0.153 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2-dimethyl-propane-1,3-diol. This reaction will need reagent hydrobromic acid.
Uses of 3-Bromo-2,2-dimethyl-1-propanol: it can be used to produce 3,3-dimethyl-oxetan. This reaction will need reagent aqueous KOH-solution.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(C)(C)CO
(2)InChI: InChI=1/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
(3)InChIKey: KQOQXYPZBYTICM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
(5)Std. InChIKey: KQOQXYPZBYTICM-UHFFFAOYSA-N