Dimethyl2,2'-Dibromoadipate
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Dimethyl2,2'-Dibromoadipate
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CAS No:
868-72-4
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Formula:
C8H12Br2O4
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Chemical Name:
Dimethyl2,2'-Dibromoadipate
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Synonyms:
Dimethyl 2,5-dibromohexanedioate;Dimethyl 2,2"-dibromoadipate;Hexanedioic acid, 2,5-dibromo-, dimethyl ester;53490-47-4;dimethyl 2,5-dibromoadipate;Dimethyl-2,5-Dibromoadipate;SCHEMBL1415237;CTK8B4704;DTXSID30968220;dimethyl 2,5-dibromo hexanedioate
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CAS No:
Safety Information
P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Dimethyl2,2'-Dibromoadipate Use and Manufacturing
Thionyl chloride (323 g, 2.71 mol) was added in 70 ml portions over 2 h to adipic acid (197 g, 1.35 mol) heated at 80 °C in a three-neck round bottom flask equipped with a reflux condenser and a constant pressure dropping funnel. The mixture was stirred until gas evolution ceased and partial solid adipic acid still remained. An additional 100 ml of thionyl chloride was added in 7 h, and heating was continued until gas evolution ceased. Bromine (473 g, 2.96 mol) was added dropwise to the pale yellow reaction mixture over an ice bath, and a white precipitate formed during the addition. The white precipitate was collected by filtration and recrystallized from MeOH to offer 253 g of 3 as white power with a yield of 53percent.
Computed Properties
Molecular Weight:331.99
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:331.90818
Monoisotopic Mass:329.91023
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:186
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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