1-Bromo-3-chloro-2-methylpropane supplier

Name
1-Bromo-3-chloro-2-methylpropane
EINECS 230-224-6
CAS No. 6974-77-2
Density 1.434 g/cm³
Solubility
Melting Point
Formula C₄H₈BrCl
Boiling Point 151.3 °C at 760 mmHg
Molecular Weight 171.465
Flash Point 55.8 °C
Transport Information
Appearance clear to slightly yellow liquid
Safety 26-37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Propane,1-bromo-3-chloro-2-methyl;1-chloro-3-bromo-2-methylpropane;2-methyl-1-bromo-3-chloropropane;1-bromo-2-methyl-3-chloropropane;3-bromo-2-methylpropyl chloride;(+/-)-1-bromo-3-chloro-2-methylpropane;
PSA 0.00000
LogP 2.25620

Synthetic route

: 563-47-3
3-Chloro-2-methylpropene

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

Conditions

Conditions	Yield
With hydrogen bromide; dibenzoyl peroxide
With hydrogen bromide; oxygen

: 513-36-0
isobutyryl chloride

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

Conditions

Conditions	Yield
(i) O2, (ii) HBr; Multistep reaction;

: 10035-10-6, 12258-64-9
hydrogen bromide

: 563-47-3
3-Chloro-2-methylpropene

peroxide/s: peroxide/s

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

...Expand

peroxide containing 3-chloro-2-methyl-propene-(1): peroxide containing 3-chloro-2-methyl-propene-(1)

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

Conditions

Conditions	Yield
With hydrogen bromide

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85176-88-1
1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl)-2-methyl-3-chloro-propane

Conditions

Conditions	Yield
	97.5%
With potassium tert-butylate 1.) DMSO, RT, 30 min, 2.) RT, 30 min; Multistep reaction;

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 96914-18-0
3-nitro-4-methyl-2-isoxazoline

Conditions

Conditions	Yield
With n-propyl nitrite; sodium nitrite In N,N-dimethyl-formamide for 16h; Ambient temperature;	96%

: 872-32-2
2-methyl-1H-pyrroline

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 2,3,5,6,7,8-hexahydro-6-methyl-1H-indolizinylium chloride

Conditions

Conditions	Yield
Stage #1: 2-methyl-1H-pyrroline With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 1.5h; Stage #2: 1-bromo-3-chloro-2-methyl propane In tetrahydrofuran; hexane at -78 - 20℃; for 15h; Stage #3: vacuo evaporation;	95%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 141-97-9
ethyl acetoacetate

: 889847-91-0
ethyl 7-chloro-6-methyl-3-oxoheptanoate

Conditions

Conditions	Yield
Stage #1: ethyl acetoacetate With lithium diisopropyl amide In tetrahydrofuran at 0℃; for 1h; Stage #2: 1-bromo-3-chloro-2-methyl propane In tetrahydrofuran at -78 - 20℃; for 16h;	92%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 10387-40-3
potassium thioacetate

: 116008-86-7
thioacetic acid S-(γ-chloro-isobutyl ester)

Conditions

Conditions	Yield
In acetone for 24h; Ambient temperature;	89%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 91-00-9
Benzhydrylamine

: 1-(diphenylmethyl)-3-methylazetidine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-bromo-3-chloro-2-methyl propane; Benzhydrylamine With 18-crown-6 ether; sodium carbonate In water; toluene at 97℃; for 8h; Large scale; Stage #2: With hydrogenchloride In water; ethyl acetate Reagent/catalyst; Solvent; Large scale;	86.7%

: 109-65-9
1-bromo-butane

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

A: 109-69-3
n-Butyl chloride

B: 28148-04-1
1,3-dibromo-2-methylpropane

Conditions

Conditions	Yield
With tetrabutylammomium bromide at 105 - 110℃; Inert atmosphere; Schlenk technique;	A n/a B 86%

...Expand

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 1202247-06-0
1-azido-3-chloro-2-methylpropane

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide at 20℃; for 20h;	84%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 52298-91-6
N-allylbenzotriazole

: 240416-54-0
1-[1-(3-chloro)-2-methylpropenyl]-1H-1,2,3-benzotriazole

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran at -78 - 20℃; Alkylation;	81%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 1074-82-4
potassium phtalimide

: 2-(3-Chloro-2-methyl-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
In chloroform-d1 for 48h; Ambient temperature;	80%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 1462-92-6
6-methyl-2,3,4,5-tetrahydro-pyridine

: 1,2,3,4,6,7,8,9-octahydro-3-methylquinolizinylium chloride

Conditions

Conditions	Yield
Stage #1: 6-methyl-2,3,4,5-tetrahydro-pyridine With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 2h; Stage #2: 1-bromo-3-chloro-2-methyl propane In tetrahydrofuran; hexane at -78 - 20℃; for 15h; Stage #3: vacuo evaporation;	80%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 934-34-9
2-hydroxybenzothiazole

: 509148-17-8
3-(3-Chloro-2-methyl-propyl)-3H-benzothiazol-2-one

Conditions

Conditions	Yield
With caesium carbonate In water; ethyl acetate; acetonitrile	80%
With caesium carbonate In water; ethyl acetate; acetonitrile	80%
With caesium carbonate In acetonitrile at 40℃; for 24h;	80%
With caesium carbonate In acetonitrile

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 75348-33-3
1-(3-chlorophenyl)-2-methylpiperazine

: 220909-98-8
1-(3-chlorophenyl)-1-(3-chloro-2-methylpropyl)-3-methylpiperazine

Conditions

Conditions	Yield
With sodium hydroxide In acetone 1.) RT, 48 h, 2.) 50 deg C, 1 h;	77%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: dilithium tetrachlorocuprate

: 106-94-5
propyl bromide

: 1-chloro-2-methylhexane

Conditions

Conditions	Yield
In tetrahydrofuran	71.9%

...Expand

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 865106-49-6
8-ethyl-4H-benzo[1,4]oxazin-3-one

: 865106-76-9
(R,S)-4-(3-chloro-2-methylpropyl)-8-ethyl-4H-benzo[1,4]oxazin-3-one

Conditions

Conditions	Yield
With caesium carbonate In ethyl acetate	69%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 108-98-5
thiophenol

: 13012-61-8
[(3-chloro-2-methylpropyl)sulfanyl]benzene

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃;	69%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 54197-66-9
3,4-dihydro-6-hydroxy-2(1H)-quinolinone

: 63309-34-2
6-(3-chloro-2-methylpropoxy)-2-oxo-1,2,3,4-tetrahydroquinoline

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 12h; Heating;	68.3%

: 4-methyl-1-tributylstannanyl-hexan-3-one

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 75-77-4
chloro-trimethyl-silane

: (Z)-9-chloro-3,8-dimethyl-4-(trimethylsiloxy)-4-nonene

Conditions

Conditions	Yield
Multistep reaction;	68%

...Expand

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 1004-39-3
4,6-diamino-2-mercaptopyrimidine

: 8-Amino-6-imino-3-methyl-2H,6H-pyrimido[2,1-b][1,3]thiazine-hydrobromide

Conditions

Conditions	Yield
	65%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: dilithium tetrachlorocuprate

: 5200-08-8
1-bromo-3-methylheptane

: 1-chloro-2,6-dimethyldecane

Conditions

Conditions	Yield
With magnesium In tetrahydrofuran	62.2%

...Expand

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 1004-40-6
6-amino-2-thioxo-1,2-dihydro-4(3H)-pyrimidinone

: 138226-22-9
8-amino-3,4-dihydro-3-methyl-2H,6H-pyrimido<2,1-b><1,3>thiazin-6-one

Conditions

Conditions	Yield
With sodium hydroxide In isopropyl alcohol a) 1-2 h at r.t. and b) 7 h at 60 deg C;	60%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 5466-88-6
3,4-dihydro-3-oxo-2H-1,4-benzoxazine

: 560084-60-8
(R,S)-4-(3-chloro-2-methylpropyl)-4H-benzo[1,4]oxazin-3-one

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile	60%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 6640-24-0
N-(m-chlorophenyl)piperazine

: 151447-87-9
1-(3-chlorophenyl)-4-(2-methyl-3-chloropropyl)piperazine

Conditions

Conditions	Yield
With sodium hydroxide In acetone 1.) RT, 48 h, 2.) 50 deg C, 1 h;	57%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 95-14-7
1,2,3-Benzotriazole

: 214116-69-5
1-(3-chloro-2-methylpropyl)-5-fuloro-1H-benzo[d]-[1,2,3]triazole

Conditions

Conditions	Yield
With potassium carbonate In MeCN at 20℃; for 48h;	55%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 105-53-3
diethyl malonate

: 57498-82-5
diethyl 2-(3-chloro-2-methylpropyl)malonate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 80℃; for 18h;	53%
With ethanol; sodium ethanolate

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 2380-94-1
1H-indol-4-ol

: 873696-56-1
4-(3-chloro-2-methylpropoxy)-1H-indole

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 0.5h;	50%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: (2,6-dimethyl-phenyl)-(hexahydro-pyrrolo[3,4-c]pyrrol-2-yl)-methanone

: C19H27ClN2O

Conditions

Conditions	Yield
With triethylamine In DMF (N,N-dimethyl-formamide) at 20℃;	46%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 13859-41-1
sodium-manganese pentacarbonyl

A: 10170-69-1
dimanganese decacarbonyl

: eq-{(CO)5MnMn(CO)4(CCH2CH(CH3)CH2O)}

Conditions

Conditions	Yield
In tetrahydrofuran under N2: dropwise addn. of a THF soln. of 10.11 mmol Na(Mn(CO)5) with stirring to 5.103 mmol 1-bromo-3-chloro-2-methylpropane; heating for 2 h at reflux; removing solvent under reduced pressure;; extraction of oil with hexane; chromy. (alumina, hexane): first band is (Mn2(CO)19), second band is MnMn-compound; recrystallization from hexane at -15°C; elem. anal.;;	A n/a B 27%

...Expand

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 1-chloro-2-methyl-3-nitropropane

Conditions

Conditions	Yield
With sodium nitrite In dimethyl sulfoxide at 16 - 30℃; for 0.166667h; cooling;	21%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 4-oxo-2-thioxo-6-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

: 3-methyl-6-oxo-8-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 80℃; for 4h; Sealed tube;	17%

1-Bromo-3-chloro-2-methylpropane Specification

The IUPAC name of this chemical is 1-bromo-3-chloro-2-methylpropane. With the CAS registry number 6974-77-2 and EINECS 230-224-6, it is also named as propane, 1-bromo-3-chloro-2-methyl-. The product's category is API Intermediates. The formula is C₄H₈BrCl and the molecular weight is 171.46.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 48.99; (6)ACD/BCF (pH 7.4): 48.99; (7)ACD/KOC (pH 5.5): 564.12; (8)ACD/KOC (pH 7.4): 564.12; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 33.12 cm³; (14)Molar Volume: 119.5 cm³; (15)Polarizability: 13.12×10^-24 cm³; (16)Surface Tension: 29.8 dyne/cm; (17)Enthalpy of Vaporization: 37.22 kJ/mol; (18)Vapour Pressure: 4.71 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 169.949791; (21)MonoIsotopic Mass: 169.949791; (22)Heavy Atom Count: 6; (23)Complexity 30.7.

Uses of 1-Bromo-3-chloro-2-methylpropane: It is used as pharmaceutical intermediate. It also can react with malonic acid diethyl ester to get (γ-chloro-isobutyl)-malonic acid diethyl ester. This reaction needs reagent NaH and solvent tetrahydrofuran at temperature of 80 °C. The reaction time is 18 hours. The yield is 53%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:BrCC(C)CCl
2. InChI:InChI=1/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3
3. InChIKey:ZKDOQFPDSUOLGF-UHFFFAOYAK

Product Name

1-Bromo-3-chloro-2-methylpropane

Synthetic route

1-Bromo-3-chloro-2-methylpropane Specification

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