ChemicalBook CAS DataBase List 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)- synthesis

3synthesis methods

Product Name:1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-
CAS Number:1001401-60-0
Molecular formula:C14H20N2O2
Molecular Weight:248.32

1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-5-METHYL-, PHENYLMETHYL ESTER

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BENZYL (S)-5-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE

1001401-61-1
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1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-

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Yield:> 95 % ee ， > 95 % ee

Reaction Conditions:

in methanol;ethanol;hexane;Purification / work up;Resolution of racemate;

Steps:

SCHEME B Ci?) or (S) - benzyl 5-methyl-l,4-diazepane-l-carboxylate fB-2)A 3.0 g (12 mmol) racemic mixture of B-I (prepared by a route analogous to that used for A-2, with the substitution of benzyl chloroformate for allyl chloro formate) was separated into its enatiomers by chrial HPLC utilizing a 10 cm Chiralpak AD column with 15% of 1 :1 MeOH/EtOH and 85% hexanes (modified with 0.1% diethylamine) with a flow rate of 200 mL/min. Under these conditions, 1.14 g of the first eluting enantiomer was obtained in > 95% ee, and 1.15 g of the second eluting enantiomer was obtained in > 95% ee. The first eluting enantiomer is designated B-2 and was carried on to provide the desired compounds.

References:

WO2008/8518,2008,A1 Location in patent:Page/Page column 33

217972-87-7
25 suppliers
$339.00/250mg

1001401-60-0
85 suppliers
$56.00/1g

References

1030377-23-1
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1001401-60-0
85 suppliers
$56.00/1g

References