137036-55-6

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• Basic information

  1. Product Name: (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE
  2. Synonyms: (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE;(3R)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one;(R)-3-aMino-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine;2H-1-Benzazepin-2-one, 3-aMino-1,3,4,5-tetrahydro-, (3R)-;R-3-AMino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one;(R)-3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one
  3. CAS NO:137036-55-6
  4. Molecular Formula: C₁₀H₁₂N₂O
  5. Molecular Weight: 176.22
  6. EINECS: N/A
  7. Product Categories: pharmacetical
  8. Mol File: 137036-55-6.mol
  9. Article Data: 4

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 377.5°Cat760mmHg
  3. Flash Point: 182.1°C
  4. Appearance: /
  5. Density: 1.143g/cm³
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.563
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: 14.57±0.40(Predicted)
  11. CAS DataBase Reference: (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE(CAS DataBase Reference)
  12. NIST Chemistry Reference: (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE(137036-55-6)
  13. EPA Substance Registry System: (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE(137036-55-6)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 137036-55-6(Hazardous Substances Data)

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• (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-2-ONE

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• (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE

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• TIANFU-CHEM (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE 137036-55-6

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• (3R)-3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one

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137036-55-6 Usage

General Description

(R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE, also known as (R)-3-aminotetrahydro-1-benzazepin-2-one, is a chemical compound that belongs to the family of benzazepines. It is an organic compound with a molecular formula of C11H14N2O, and it is a bioactive molecule with potential pharmacological properties. (R)-3-AMINO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE is a derivative of the benzazepine structure and has an amino group attached to the third carbon atom of the tetrahydrobenzazepine ring. It is used in various research studies and drug development processes, particularly in the discovery of potential therapeutic agents for neurological and psychiatric disorders. (~(R)-3-aminotetrahydro-1-benzazepin-2-one)

Check Digit Verification of cas no

The CAS Registry Mumber 137036-55-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,7,0,3 and 6 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 137036-55:
(8*1)+(7*3)+(6*7)+(5*0)+(4*3)+(3*6)+(2*5)+(1*5)=116
116 % 10 = 6
So 137036-55-6 is a valid CAS Registry Number.

InChI:InChI=1/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m1/s1

137036-55-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name	(3R)-3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one

1.2 Other means of identification

Product number	-
Other names	2H-1-Benzazepin-2-one,3-amino-1,3,4,5-tetrahydro-,(3R)

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:137036-55-6 SDS

137036-55-6Upstream product

• 140700-64-7 3-iodo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 
• 86499-96-9 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 
• 97278-68-7 3-azido-2,3,4,5-tetrahydro-2-oxo-1 H-1-benzazepine 
• 86499-35-6 3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 
• 145485-03-6 ((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)carbamic acid tert-butyl ester 
• 4424-80-0 2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one 

137036-55-6Downstream Products

• 159815-82-4 N-[1-[[(2'-Amino)[1,1'-biphenyl]-4-yl]methyl]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]-3-t-butoxycarbonylamino-3-methylbutanamide 
• 145486-16-4 N-[1-[[(2'-Nitro)[1,1'-biphenyl]-4-yl]methyl]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl ]-3-t-butoxycarbonylamino-3-methylbutanamide 
• 159815-83-5 N-[ 1-[[2'-[(Methylaminocarbonyl)amino][1,1'-biphenyl]-4-yl]methyl]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3(R)-yl]-3-t-butoxycarbonylamino-3-methylbutanamide 
• 197652-17-8 {1-Methyl-1-[(R)-2-oxo-1-(2'-ureidomethyl-biphenyl-4-ylmethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl]-ethyl}-carbamic acid benzyl ester 
• 197652-61-2 [1-Methyl-1-((R)-1-{2'-[2-(3-methyl-ureido)-ethyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 
• 195248-08-9 [1-Methyl-1-((R)-1-{2'-[(3-methyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester 
• 197652-27-0 (1-{(R)-1-[2'-(3,3-Dimethyl-ureidomethyl)-biphenyl-4-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl}-1-methyl-ethyl)-carbamic acid benzyl ester 
• 197652-25-8 [1-((R)-1-{2'-[(3-Ethyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-1-methyl-ethyl]-carbamic acid benzyl ester 
• 197652-23-6 (1-{(R)-1-[2'-(3-Isopropyl-ureidomethyl)-biphenyl-4-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl}-1-methyl-ethyl)-carbamic acid benzyl ester 
• 197652-21-4 [1-Methyl-1-((R)-2-oxo-1-{2'-[(3-propyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester 
• 197652-47-4 [1-((R)-1-{2'-[(3-Cyclopropyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-1-methyl-ethyl]-carbamic acid benzyl ester 
• 195248-06-7 (1-{(R)-1-[2'-(tert-Butoxycarbonylamino-methyl)-biphenyl-4-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl}-1-methyl-ethyl)-carbamic acid benzyl ester 
• 197652-43-0 [1,1-Dimethyl-2-((R)-1-{2'-[(3-methyl-ureido)-methyl]-biphenyl-4-ylmethyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester 
• 162356-94-7 3-Benzyloxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1-[[2'-[(t-butoxycarbonylamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1H-1-benzazepin-3(R)-yl]-butanamide 

137036-55-6Relevant articles and documents

Evaluation of a 125I-labelled benzazepinone derived voltage-gated sodium channel blocker for imaging with SPECT

Perez-Medina, Carlos,Patel, Niral,Robson, Mathew,Badar, Adam,Lythgoe, Mark F.,Arstad, Erik

supporting information, p. 9474 - 9480 (2013/01/15)

Voltage-gated sodium channels (VGSCs) are a family of transmembrane proteins that mediate fast neurotransmission, and are integral to sustain physiological conditions and higher cognitive functions. Imaging of VGSCs in vivo holds promise as a tool to elucidate operational functions in the brain and to aid the treatment of a wide range of neurological diseases. To assess the suitability of 1-benzazepin-2-one derived VGSC blockers for imaging, we have prepared a 125I-labelled analogue of BNZA and evaluated the tracer in vivo. In an automated patch-clamp assay, a diastereomeric mixture of the non-radioactive compound blocked the Nav1.2 and Nav1.7 VGSC isoforms with IC50 values of 4.1 ± 1.5 μM and 0.25 ± 0.07 μM, respectively. [3H]BTX displacement studies revealed a three-fold difference in affinity between the two diastereomers. Iodo-destannylation of a tin precursor with iodine-125 afforded the two diastereomerically pure tracers, which were used to assess binding to VGSCs in vivo by comparing their tissue distributions in mice. Whilst the results point to a lack of VGSC binding in vivo, SPECT imaging revealed highly localized uptake in the interscapular region, an area typically associated with brown adipose tissue, which in addition to high metabolic stability of the iodinated tracer, demonstrate the potential of 1-benzazepin-2-ones for in vivo imaging.

An Efficient Asymmetric Synthesis of (R)-3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one

Armstrong, Joseph D. III,Eng, Kan K.,Keller, Jennifer L.,Purick, Robert M.,Hartner, Frederick W. Jr.,et al.

, p. 3239 - 3242 (2007/10/02)

Two approaches for the asymmetric preparation of (-)- or (+)-α-aminobenzlactam 1 are described.One route is based on the asymmetric hydrogenation of enamide 5 and the other on the racemization/resolution of (+/-)-1.

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