1H-Indene, 5-bromo- supplier | CasNO.75476-78-7

Name
1H-Indene, 5-bromo-
EINECS
CAS No. 75476-78-7
Article Data12
CAS DataBase
Density 1.523 g/cm³
Solubility
Melting Point 41 °C
Formula C₉H₇Br
Boiling Point 245 °C at 760 mmHg
Molecular Weight 195.059
Flash Point 105.5 °C
Transport Information
Appearance Colourless
Safety 22-26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Bromo-1H-indene;5-Bromoindene;
PSA 0.00000
LogP 3.01840

Synthetic route

: 75476-86-7
6-Bromo-2,3-dihydro-1H-inden-1-ol

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	97%
With toluene-4-sulfonic acid In benzene for 3h; Reflux;	95%
With toluene-4-sulfonic acid In benzene at 65℃; for 14h;	88%

: 34598-49-7
5-Bromo-1-indanone

A: 33065-61-1
6-bromo-1H-indene

B: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Stage #1: 5-Bromo-1-indanone With lithium aluminium tetrahydride at 0℃; for 2h; Stage #2: With toluene-4-sulfonic acid In benzene at 75℃; for 2h;	A 90% B n/a

: 862135-61-3
5-bromo-2,3-dihydro-1H-inden-2-ol

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene

: 174349-93-0
5-bromo-1H-inden-2(3H)-one

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether 2: p-TsOH / benzene View Scheme

: 14548-39-1
6-bromoindan-1-one

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 2: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 89 percent / NaBH4 / ethanol / 25 °C 2: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme
Multi-step reaction with 2 steps 1: sodium borohydride / methanol / 1 h / Ambient temperature 2: 77 percent / H2SO4 (20percent), ethylene glycol / 20 h / 75 °C View Scheme

: 33065-61-1
6-bromo-1H-indene

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 28 percent / Pseudomonas putida UV4 / 7 h 2: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 3: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme

: 34598-49-7
5-Bromo-1-indanone

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 90 percent / sodium borohydride / methanol / 2 h / 20 °C 2: 92 percent / p-TsOH / benzene / 2 h / Heating 3: 28 percent / Pseudomonas putida UV4 / 7 h 4: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 5: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme

: 34598-50-0
5-bromo-1-indanol

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 92 percent / p-TsOH / benzene / 2 h / Heating 2: 28 percent / Pseudomonas putida UV4 / 7 h 3: 88 percent / sodium borohydride / methanol / 2 h / 20 °C 4: 87 percent / p-TsOH / benzene / 2 h / Heating View Scheme

: 14548-39-1
6-bromoindan-1-one

A: 75476-78-7
5-bromo-1H-indene

B n-PrMgX: n-PrMgX

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / ethanol 2: p-TsOH / toluene / 80 °C View Scheme

: 1643-30-7
3-(4-bromophenyl)propionic acid

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: thionyl chloride 2: 91 percent / AlCl3 / CS2 3: 89 percent / NaBH4 / ethanol / 25 °C 4: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme
Multi-step reaction with 3 steps 1: aluminum (III) chloride / dichloromethane / 3 h / Reflux 2: sodium tetrahydroborate / ethanol / 3 h / 10 - 20 °C 3: toluene-4-sulfonic acid / benzene / 3 h / Reflux View Scheme

: 70146-78-0
diethyl 2-(4-bromobenzyl)malonate

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 95 percent / KOH / acetic acid; H2O; tetrahydrofuran 2: 85 percent / 165 °C 3: thionyl chloride 4: 91 percent / AlCl3 / CS2 5: 89 percent / NaBH4 / ethanol / 25 °C 6: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme

: 92013-18-8
2-[(4-bromophenyl)methyl]propanedioic acid

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 85 percent / 165 °C 2: thionyl chloride 3: 91 percent / AlCl3 / CS2 4: 89 percent / NaBH4 / ethanol / 25 °C 5: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme

: 55394-81-5
3-(4-bromophenyl)propanoyl chloride

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 91 percent / AlCl3 / CS2 2: 89 percent / NaBH4 / ethanol / 25 °C 3: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme

: 589-15-1
1-bromomethyl-4-bromobenzene

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 74 percent / NaOEt / Heating 2: 95 percent / KOH / acetic acid; H2O; tetrahydrofuran 3: 85 percent / 165 °C 4: thionyl chloride 5: 91 percent / AlCl3 / CS2 6: 89 percent / NaBH4 / ethanol / 25 °C 7: 97 percent / p-toluenesulfonic acid * H2O / benzene / Heating View Scheme

: 34598-50-0
5-bromo-1-indanol

: 98-59-9
p-toluenesulfonyl chloride

: 75476-78-7
5-bromo-1H-indene

Conditions

Conditions	Yield
With pyridine In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; diethyl ether; toluene

: 75476-78-7
5-bromo-1H-indene

n-PrMgX: n-PrMgX

: 92013-19-9
5-n-propyl-1H-indene

Conditions

Conditions	Yield
With [nickel(II)dichloride(1,3-bis(diphenylphosphino)propane)] In diethyl ether Heating;	98%

: 75476-78-7
5-bromo-1H-indene

n-BuMgX: n-BuMgX

: 92013-20-2
5-n-butyl-1H-indene

Conditions

Conditions	Yield
With [nickel(II)dichloride(1,3-bis(diphenylphosphino)propane)] In diethyl ether Heating;	98%

: 75476-78-7
5-bromo-1H-indene

EtMgX: EtMgX

: 66256-31-3
5-ethyl-1H-indene

Conditions

Conditions	Yield
With [nickel(II)dichloride(1,3-bis(diphenylphosphino)propane)] In diethyl ether Heating;	96%

: 75-16-1
methylmagnesium bromide

: 75476-78-7
5-bromo-1H-indene

: 7480-80-0
5-methyl-1H-indene

Conditions

Conditions	Yield
With [nickel(II)dichloride(1,3-bis(diphenylphosphino)propane)] In diethyl ether Heating;	93%

: 75476-78-7
5-bromo-1H-indene

: 852295-56-8
3-(2'-iodoethyl)-1H-indene

: 852295-58-0
3-[2'-(1H-inden-3''-yl)-ethyl]-5-bromo-1H-indene

Conditions

Conditions	Yield
Stage #1: 3-(2'-iodoethyl)-1H-indene With n-butyllithium In tetrahydrofuran Stage #2: 5-bromo-1H-indene In tetrahydrofuran	79%

: 3265-29-0
3-diazo-indolin-2-one

: 75476-78-7
5-bromo-1H-indene

: 1439478-57-5
C17H12BrNO

Conditions

Conditions	Yield
Stage #1: 5-bromo-1H-indene With silver tetrafluoroborate; C44H38Au2Cl2O2P2 In fluorobenzene at 0 - 25℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: 3-diazo-indolin-2-one In fluorobenzene at 0℃; for 0.2h; Schlenk technique; Inert atmosphere; enantioselective reaction;	72%

: 75476-78-7
5-bromo-1H-indene

A: 14548-39-1
6-bromoindan-1-one

B: 5-bromo-1,2-dihydroxyindane

Conditions

Conditions	Yield
With Pseudomonas putida UV4 for 7h;	A 4% B n/a

: 2461-35-0
2,3-epoxy-1,2,3,4-tetrahydronaphthalene

: 75476-78-7
5-bromo-1H-indene

: 118753-70-1
N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine

: 1'-(2-hydroxy-1,2,3,4-tetrahydronaphth-3-yl)spiro<6-bromo-1H-indene-1,4'-piperidine>

: 1'-(2-hydroxy-1,2,3,4-tetrahydronaphth-3-yl)spiro<5-bromo-1H-indene-1,4'-piperidine>

Conditions

Conditions	Yield
With hydrogenchloride; triethylamine; lithium hexamethyldisilazane Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 75476-78-7
5-bromo-1H-indene

: 118753-70-1
N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine

A: 5-bromo-1'-(tert-butoxycarbonyl)spiro<1H-indene-1,4'-piperidine>

B: 158628-80-9
6-bromo-1'-(tert-butoxycarbonyl)spiro<1H-indene-1,4'-piperidine>

Conditions

Conditions	Yield
With lithium hexamethyldisilazane 1.) THF, 4 deg C, 45 min, 2.) THf, from 4 deg C, 2h to RT, 18 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 75476-78-7
5-bromo-1H-indene

: 118753-70-1
N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine

A: C13H14BrN*ClH

B: C13H14BrN*ClH

Conditions

Conditions	Yield
With hydrogenchloride; lithium hexamethyldisilazane Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 75476-78-7
5-bromo-1H-indene

: 58794-09-5
7-bromoisoquinoline

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 75476-78-7
5-bromo-1H-indene

: C12H15Cl2NO2

: ((1S,2S)-6-Bromo-1-chloro-indan-2-yl)-carbamic acid 5-phenyl-pentyl ester

Conditions

Conditions	Yield
With sodium hydrogen sulfate 1.) toluene; Multistep reaction;

: 75476-78-7
5-bromo-1H-indene

: 124-40-3
dimethyl amine

: (1S,2S)-6-Bromo-1-dimethylamino-indan-2-ol

Conditions

Conditions	Yield
Stage #1: 5-bromo-1H-indene With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; Stage #2: dimethyl amine In ethanol at 100℃;

: 75476-78-7
5-bromo-1H-indene

: 3-[2'-(1H-inden-3''-yl)ethyl]-5-(4'''-vinylphenyl)-1H-indene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: BuLi / tetrahydrofuran 1.2: 79 percent / tetrahydrofuran 2.1: 83 percent / aq. K2CO3 / Pd(PPh3)4 / various solvent(s) / Heating View Scheme

: 75476-78-7
5-bromo-1H-indene

: ((1S,2S)-6-Bromo-2-methoxy-indan-1-yl)-dimethyl-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: m-CPBA / CH2Cl2 / 20 °C 1.2: ethanol / 100 °C 2.1: NaH / tetrahydrofuran / 20 °C View Scheme

: 75476-78-7
5-bromo-1H-indene

: ((1S,2S)-6-Ethynyl-2-methoxy-indan-1-yl)-dimethyl-amine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: m-CPBA / CH2Cl2 / 20 °C 1.2: ethanol / 100 °C 2.1: NaH / tetrahydrofuran / 20 °C 3.1: Et3N; CuI; PdCl2(PPh3)2 / 80 °C 4.1: Bu4NF / tetrahydrofuran / 20 °C View Scheme

: 75476-78-7
5-bromo-1H-indene

: ((1S,2S)-2-Methoxy-6-trimethylsilanylethynyl-indan-1-yl)-dimethyl-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: m-CPBA / CH2Cl2 / 20 °C 1.2: ethanol / 100 °C 2.1: NaH / tetrahydrofuran / 20 °C 3.1: Et3N; CuI; PdCl2(PPh3)2 / 80 °C View Scheme

: 75476-78-7
5-bromo-1H-indene

: 2-((2S,3S)-3-Dimethylamino-2-methoxy-indan-5-yl)-7-methoxy-6-oxazol-5-yl-1H-quinolin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: m-CPBA / CH2Cl2 / 20 °C 1.2: ethanol / 100 °C 2.1: NaH / tetrahydrofuran / 20 °C 3.1: Et3N; CuI; PdCl2(PPh3)2 / 80 °C 4.1: Bu4NF / tetrahydrofuran / 20 °C 5.1: Et2NH; PdCl2(PPh3)2 / 120 °C / 1551.44 Torr View Scheme

: 75476-78-7
5-bromo-1H-indene

n-PrMgX: n-PrMgX

: [(1S,2S)-6-Bromo-2-(5-phenyl-pentyloxycarbonylamino)-indan-1-yl]-acetic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 2.) aq. NaHSO4 / 1.) toluene 2: NaH / dimethylformamide / 40 °C 3: aq. NaCl / dimethylsulfoxide / 160 °C View Scheme

: 75476-78-7
5-bromo-1H-indene

n-PrMgX: n-PrMgX

: 2-[(1S,2S)-6-Bromo-2-(5-phenyl-pentyloxycarbonylamino)-indan-1-yl]-malonic acid diethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2.) aq. NaHSO4 / 1.) toluene 2: NaH / dimethylformamide / 40 °C View Scheme

1H-Indene, 5-bromo- Specification

The 1H-Indene, 5-bromo- with CAS registry number of 75476-78-7 is also called 5-Bromo-1H-indene. Its Molecular formula is C₉H₇Br and Molecular weight is 195.06. Its systematic name is 5-bromo-1H-indene.

Physical properties about this chemical are: (1) ACD/LogP: 3.74; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.74; (4) ACD/LogD (pH 7.4): 3.74; (5) ACD/BCF (pH 5.5): 409.38; (6) ACD/BCF (pH 7.4): 409.38; (7) ACD/KOC (pH 5.5): 2578.48; (8) ACD/KOC (pH 7.4): 2578.48; (9) Index of Refraction: 1.633; (10) Molar Refractivity: 45.72 cm³; (11) Molar Volume: 128 cm³; (12) Polarizability: 18.12×10^-24cm³; (13) Surface Tension: 47.1 dyne/cm; (14) Density: 1.523 g/cm³; (15) Flash Point: 105.5 °C; (16) Enthalpy of Vaporization: 46.26 kJ/mol; (17) Boiling Point: 245 °C at 760 mmHg; (18) Vapour Pressure: 0.0459 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, do not breathe dust and please wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc\2c(cc1)C/C=C/2CopyCopied;
(2) InChI: InChI=1/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2;
(3) InChIKey: ZPZKSAJLIFPVSR-UHFFFAOYAK;
(4) Std. InChI: InChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2;
(5) Std. InChIKey: ZPZKSAJLIFPVSR-UHFFFAOYSA-N

Product Name

1H-Indene, 5-bromo-

Synthetic route

1H-Indene, 5-bromo- Specification

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