ethyl 2-(6-bromo-1H-indol-3-yl)acetate

Base Information

Chemical Name:ethyl 2-(6-bromo-1H-indol-3-yl)acetate
CAS No.:919295-79-7
Molecular Formula:C₁₂H₁₂BrNO₂
Molecular Weight:282.137
Hs Code.:
European Community (EC) Number:843-575-0
DSSTox Substance ID:DTXSID50582745
Wikidata:Q82474240
Mol file:919295-79-7.mol

Synonyms:919295-79-7;ethyl 2-(6-bromo-1H-indol-3-yl)acetate;Ethyl 6-Bromoindole-3-acetate;Ethyl (6-bromo-1H-indol-3-yl)acetate;SCHEMBL4261621;DTXSID50582745;DBEHTVLBNORKMZ-UHFFFAOYSA-N;AC7253;MFCD12912004;AKOS024175113;SY058559;CS-0130572;EN300-111328;(6-Bromo-1H-indol-3-yl)-acetic acid ethyl ester;A917034;Z1416283660

Suppliers and Price of ethyl 2-(6-bromo-1H-indol-3-yl)acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Chemenu
Ethyl2-(6-bromo-1H-indol-3-yl)acetate 95%+
1g
$ 313.00

Chemenu
Ethyl2-(6-bromo-1H-indol-3-yl)acetate 95%+
5g
$ 293.00

AK Scientific
Ethyl2-(6-bromo-1H-indol-3-yl)acetate
1g
$ 1056.00

AccelPharmtech
ethyl2-(6-bromo-1H-indol-3-yl)acetate 97.00%
25G
$ 6000.00

AccelPharmtech
ethyl2-(6-bromo-1H-indol-3-yl)acetate 97.00%
5G
$ 3230.00

AccelPharmtech
ethyl2-(6-bromo-1H-indol-3-yl)acetate 97.00%
1G
$ 1890.00

Total 3 raw suppliers

Chemical Property of ethyl 2-(6-bromo-1H-indol-3-yl)acetate

Chemical Property:

Boiling Point:403.8±30.0 °C(Predicted)
PKA:15.77±0.30(Predicted)
PSA：42.09000
Density:1.505±0.06 g/cm3(Predicted)
LogP:3.03600
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:281.00514
Heavy Atom Count:16
Complexity:259

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(6-bromo-1H-indol-3-yl)acetate 95%+ ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=CNC2=C1C=CC(=C2)Br

Technology Process of ethyl 2-(6-bromo-1H-indol-3-yl)acetate

There total 2 articles about ethyl 2-(6-bromo-1H-indol-3-yl)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 48.0%

: 623-73-4
diazoacetic acid ethyl ester

: 52415-29-9
6-bromo-1H-indole

: 919295-79-7
(6-bromo-1H-indol-3-yl)acetic acid ethyl ester

Guidance literature:: With E_. coli harboring cytochrome P₄₅₀-BM₃ mutated variant P₄₁₁_BM₃-CIS V₈₇T H₉₂F L₁₈₁G N₂₀₁S L₂₁₅Q I₂₆₃M V₂₈₁L T₄₃₈C K₄₇₂T N₅₇₃D F₆₄₆S Q₆₇₄*; In aq. phosphate buffer; ethanol; dimethyl sulfoxide; at 20 ℃; for 18h; pH=7.4; Inert atmosphere; Sealed tube; Enzymatic reaction;
DOI:10.1021/jacs.9b02931

Reference yield: 45.0%

: 52415-29-9
6-bromo-1H-indole

: 105-36-2
ethyl bromoacetate

: 919295-79-7
(6-bromo-1H-indol-3-yl)acetic acid ethyl ester

Guidance literature:: 6-bromo-1H-indole; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.25h;

With zinc(II) chloride; In tetrahydrofuran; diethyl ether; hexane; for 24h;

ethyl bromoacetate; In toluene; for 24h;
DOI:10.1021/jm060910c

Reference yield:

: 919295-79-7
(6-bromo-1H-indol-3-yl)acetic acid ethyl ester

: ethyl 2-(6-(2,5-difluorophenyl)-1-((3-(trifluoromethyl)phenyl)sulfonyl)indolin-3-yl)acetate

Guidance literature:: Multi-step reaction with 3 steps

1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate / 1,4-dioxane / 4 h / 80 °C

2: sodium cyanoborohydride; acetic acid / 20 °C

3: pyridine / dimethyl sulfoxide / 4 h / 50 °C

With pyridine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium cyanoborohydride; potassium carbonate; acetic acid; In 1,4-dioxane; dimethyl sulfoxide;