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Cyanogen Bromide → N-(2,2-diethoxyethyl)carbodiimide

HRID 19493
Notes
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Reaction equation

HRID 19493 reaction equation
[CH2:1]([O:3][CH:4]([O:7][CH2:8][CH3:9])[CH2:5][NH2:6])[CH3:2].[N:10]#[C:11]Br>CCOCC.CCCCCC>[CH2:1]([O:3][CH:4]([O:7][CH2:8][CH3:9])[CH2:5][N:6]=[C:11]=[NH:10])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 2

HCID 10476Cyanogen BromideHCID 695242,2-Diethoxyethylamine

Product 1

HCID 10749464N-(2,2-diethoxyethyl)carbodiimide

Reagents, catalysts & solvents 2

HCID 3283Diethyl EtherSolventHCID 8058HexaneSolvent

Procedure

A solution of the aminoacetaldehyde diethyl acetal (13.16 g, 99 mmol) in ether (35 mL) was added to a suspension of CNBr (10.47 g, 99 mmol) in hexane (35 mL) at room temperature. The reaction mixture was stirred at room temperature overnight. The solid was removed by filtration and washed with ether. The combined filtrate was concentrated. Purification by column chromatography (silica gel, eluting with dichloromethane to 4% methanol in dichloromethane, gradient) afforded the title compound (7.0 g, 44.7%, one half of the starting amine served as a sacrificial base in the reaction) (Rf: 2.70, 4% methanol in dichloromethane, stain with 10% ethanolic molybdatophosphoric acid). 1H NMR 400 MHz (CDCl3) δ 4.58 (t, J=5.2 Hz, 1H), 3.77-3.69 (m, 2H), 3.65 (br, s, 1H), 3.60-352 (m, 2H), 3.16 (t, J=5.6 Hz, 1H), 1.23 (t, 6H, J=6.8 Hz).

Workup

  1. customThe solid was removed by filtration
  2. washwashed with ether
  3. concentrationThe combined filtrate was concentrated
  4. customPurification
  5. washby column chromatography (silica gel, eluting with dichloromethane to 4% methanol in dichloromethane, gradient)

Sources & evidence

ORD record
ord-e93b9a0c21c24898bc8244a2c8cb2fea
Source dataset
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07745437B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes