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; |
3,3-dimethyloxetane
triphenylphosphine
A
1,3-dibromo-2,2-dimethyl-propane
B
3-bromo-2,2-dimethyl-propan-1-ol
C
(3-bromo-2,2-dimethylpropoxy)triphenylphosphonium cation
Conditions | Yield |
---|---|
With carbon tetrabromide In dichloromethane-d2 at 20℃; for 96h; | A 11 %Spectr. B 46 %Spectr. C 19 %Spectr. |
3,4-dihydro-2H-pyran
3-bromo-2,2-dimethyl-propan-1-ol
3-tetrahydropyranyloxy-2,2-dimethyl-1-bromopropane
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 16h; | 100% |
pyridinium p-toluenesulfonate In dichloromethane for 2h; | 95% |
3-bromo-2,2-dimethyl-propan-1-ol
3-bromo-2,2-dimethylpropionic acid
Conditions | Yield |
---|---|
With nitric acid for 0.333333h; Ambient temperature; sonication; | 100% |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With nitric acid for 12h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With pyridinium chlorochromate In dichloromethane at 20℃; for 18h; | 98% |
With silica gel; pyridinium chlorochromate In dichloromethane at 20℃; for 1h; Inert atmosphere; | 97% |
With sodium hypochlorite; sodium hydrogencarbonate; potassium bromide; 2,2,6,6-tetramethyl-piperidine-N-oxyl In dichloromethane; water Oxidation; cooling; | 85% |
3-bromo-2,2-dimethyl-propan-1-ol
tert-butyldimethylsilyl chloride
1-bromo-3-<(tert-butyldimethylsilyl)oxy>-2,2-dimethylpropane
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane for 12h; Ambient temperature; | 97% |
With dmap; triethylamine In dichloromethane at 20℃; for 16h; | 95% |
With dmap; triethylamine In dichloromethane |
3-bromo-2,2-dimethyl-propan-1-ol
dimethylsilicon dichloride
Conditions | Yield |
---|---|
With pyridine at 0℃; for 1h; | 95% |
phthalimide
3-bromo-2,2-dimethyl-propan-1-ol
2-(3-bromo-2, 2-dimethylpropyl)-2,3-dihydro-1H-isoindole-1,3-dione
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 24h; Schlenk technique; | 94% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 25℃; for 12h; Inert atmosphere; | 51% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 25℃; for 12h; Inert atmosphere; | 51% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 25℃; for 12h; Inert atmosphere; | 51% |
3-bromo-2,2-dimethyl-propan-1-ol
3-azido-2,2-dimethyl-1-propanol
Conditions | Yield |
---|---|
With sodium azide In N,N-dimethyl-formamide at 60℃; for 12h; | 90% |
With sodium azide | |
With sodium azide In N,N-dimethyl-formamide at 20℃; for 20h; |
3-bromo-2,2-dimethyl-propan-1-ol
potassium thioacyanate
3-hydroxy-2,2-dimethyl-1-propylthiocyanate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 130℃; for 4h; | 89% |
In methanol for 5h; Heating; | 78% |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With lithium tetrafluoroborate; 12-phenyl-12H-benzo[b]phenothiazine In acetonitrile at 0.4℃; for 12h; Irradiation; Inert atmosphere; | 84% |
3-bromo-2,2-dimethyl-propan-1-ol
(E)-3-phenylacrylic acid
2,2-dimethyl-3-hydroxypropyl trans-cinnamate
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 4h; Esterification; | 80% |
3-bromo-2,2-dimethyl-propan-1-ol
tributyltin methoxide
<3-Brom-2.2-dimethyl-propoxy-(1)>-tributyl-zinn
Conditions | Yield |
---|---|
1:1; 50°C; <760 Torr; | 70% |
byproducts: CH3OH; heating of equimolar amts. of educts, removing of alc.; | 70% |
3-bromo-2,2-dimethyl-propan-1-ol
tributyltin ethoxide
<3-Brom-2.2-dimethyl-propoxy-(1)>-tributyl-zinn
Conditions | Yield |
---|---|
byproducts: C2H5OH; heating of equimolar amts. of educts, removing of alc.; | 70% |
3-bromo-2,2-dimethyl-propan-1-ol
disodium 1,2-ethanedithiolate
Conditions | Yield |
---|---|
In ethanol for 12h; Heating; | 69% |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile at 85℃; | 62% |
Conditions | Yield |
---|---|
In ethanol for 2h; Heating / reflux; | 59% |
3-bromo-2,2-dimethyl-propan-1-ol
methyl iodide
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; mineral oil at 0℃; | 59% |
Stage #1: 3-bromo-2,2-dimethyl-propan-1-ol With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran at 0 - 20℃; for 2h; |
3-bromo-2,2-dimethyl-propan-1-ol
3,3-dimethyloxetane
Conditions | Yield |
---|---|
With potassium hydroxide In ethylene glycol at 60℃; for 1h; Heating; | 54% |
With potassium hydroxide at 130 - 180℃; | |
With potassium hydroxide | |
With Ph4SbOMe In 1,2-dichloro-ethane at 60℃; for 24h; sealed ampule; | 78 % Chromat. |
styrene
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With lithium tetrafluoroborate; 12-[4-(trifluoromethyl)phenyl]-12H-benzo[b]phenothiazine In acetonitrile at 40℃; for 24h; Irradiation; Inert atmosphere; Sealed tube; regioselective reaction; | 53% |
3-bromo-2,2-dimethyl-propan-1-ol
4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 100℃; Inert atmosphere; | 50% |
With caesium carbonate In N,N-dimethyl-formamide at 70℃; for 18h; | 37.4% |
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20 - 95℃; | 44% |
1,1-Diphenylethylene
3-bromo-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With [Au(μ-bis(diphenylphosphino)methane)]2(CF3SO3)2; sodium hydrogencarbonate; sodium L-ascorbate In acetonitrile at 20℃; Heck Reaction; UV-irradiation; Inert atmosphere; | 43% |
3-bromo-2,2-dimethyl-propan-1-ol
6-hydroxy-α-methyl-2-naphthaleneacetic acid
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; Reagent/catalyst; Temperature; Solvent; | 43% |
3-ethoxy-5-hydroxymethyl-phenol
3-bromo-2,2-dimethyl-propan-1-ol
3-(3-ethoxy-5-hydroxymethyl-phenoxy)-2,2-dimethyl-propan-1-ol
Conditions | Yield |
---|---|
With caesium carbonate; potassium iodide In N,N-dimethyl-formamide at 100℃; for 24h; | 33% |
3-bromo-2,2-dimethyl-propan-1-ol
4-(4-(difluoromethoxy)-2-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-inden-1-one
4-[4-difluoromethoxy-2-(3-hydroxy-2,2-dimethylpropoxy)-3-methoxyphenyl]indan-1-one
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; for 16h; | 30% |
3-bromo-2,2-dimethyl-propan-1-ol
3-(4-bromophenoxy)-2,2-dimethylpropan-1-ol
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 48h; Inert atmosphere; | 29% |
With caesium carbonate; potassium iodide In N,N-dimethyl-formamide at 80 - 140℃; | 22% |
With caesium carbonate; potassium iodide In N,N-dimethyl-formamide at 100℃; for 4h; | 22% |
pyrrolidine
3-bromo-2,2-dimethyl-propan-1-ol
2,2-dimethyl-3-pyrrolidino-propan-1-ol
Conditions | Yield |
---|---|
With potassium carbonate at 90℃; | 26% |
3-bromo-2,2-dimethyl-propan-1-ol
salicylaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In ethyl acetate; N,N-dimethyl-formamide | 25% |
3-bromo-2,2-dimethyl-propan-1-ol
4-(3-hydroxy-2,4-dimethoxyphenyl)-2,3-dihydro-1H-inden-1-one
4-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,4-dimethoxyphenyl]-2,3-dihydro-1H-inden-1-one
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; for 4h; | 20% |
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
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