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)-
- Product Name
- 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-
- CAS No.
- 1001401-60-0
- Chemical Name
- 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-
- Synonyms
- New Intermediates;Suvoro intermediate;Suvorexant InterMediate;(R)-1-Cbz-5-methyl-1,4-diazepane;Benzyl(R)-5-methyl-1,4-diazepane-1-carboxylate;Benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate;Suvorexant INT,(R)-benzyl 5-methyl-1,4-diazepane-1-carboxylate;(R) 5-methyl-1,4-diazacycloheptane-1-carboxylic acid benzyl ester;(R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate/Suvorexant intermediate;(5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester
- CBNumber
- CB92704079
- Molecular Formula
- C14H20N2O2
- Formula Weight
- 248.32
- MOL File
- 1001401-60-0.mol
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1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)- Property
- Boiling point:
- 373.9±35.0 °C(Predicted)
- Density
- 1.081±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 10.49±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C14H20N2O2/c1-12-7-9-16(10-8-15-12)14(17)18-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1
- InChIKey
- DQUGXUOXPVSJFN-GFCCVEGCSA-N
- SMILES
- N1(C(OCC2=CC=CC=C2)=O)CC[C@@H](C)NCC1
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Safety
- HS Code
- 2933998090
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N-Bromosuccinimide Price
Apolloscientific
- Product number
- OR942975
- Product name
- (R)-Benzyl5-methyl-1,4-diazepane-1-carboxylate
- Purity
- 95%
- Packaging
- 1g
- Price
- $68
- Updated
- 2021/12/16
Activate Scientific
- Product number
- AS56022
- Product name
- (R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate
- Purity
- 97+% ee
- Packaging
- 1g
- Price
- $142
- Updated
- 2021/12/16
Apolloscientific
- Product number
- OR942975
- Product name
- (R)-Benzyl5-methyl-1,4-diazepane-1-carboxylate
- Purity
- 95%
- Packaging
- 5g
- Price
- $268
- Updated
- 2021/12/16
Activate Scientific
- Product number
- AS56022
- Product name
- (R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate
- Purity
- 97+% ee
- Packaging
- 5G
- Price
- $371
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 122202
- Product name
- Benzyl(5R)-5-methyl-1,4-diazepane-1-carboxylate
- Purity
- 97.0%
- Packaging
- 1g
- Price
- $1848
- Updated
- 2021/12/16
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1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)- Chemical Properties,Usage,Production
Synthesis
217972-87-7
1001401-61-1
1001401-60-0
Benzyl (S)-5-methyl-1,4-diazepane-1-carboxylate and benzyl (R)-5-methyl-1,4-diazepane-1-carboxylate were prepared from benzyl (S)-5-methyl-1,4-diazepane-1-carboxylate and benzyl (R)-5-methyl-1,4-diazepane-1-carboxylate, respectively, by separating the racemic mixtures of the mixtures by chiral high performance liquid chromatography (HPLC). The procedure was as follows: a 10 cm Chiralpak AD column was used with 15% 1:1 MeOH/EtOH and 85% hexane (containing 0.1% diethylamine) as the mobile phase at a flow rate of 200 mL/min. 1.14 g of the first-eluting enantiomer (>95% ee) was obtained and 1.15 g of the second-eluting enantiomer (>95% ee) was obtained under these conditions. will The first eluted enantiomer was named B-2 and used in the subsequent reaction.
References
[1] Patent: WO2008/8518, 2008, A1. Location in patent: Page/Page column 33
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)- Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)- manufacturers
Jinan Ruitong Biotech Co., Ltd.
- Product
- ((R)-Benzyl?5-methyl-1,4-diazepane-1-carboxylate) 1001401-60-0
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1
- Release date
- 2025-08-25
Career Henan Chemical Co
- Product
- 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)- 1001401-60-0
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-02