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(S)-N-Boc-2-morpholinecarbaldehyde, also known as (2S)-2-(Formyl)morpholine-4-carboxylic Acid tert-Butyl Ester, is a chemical compound with a unique structure that features a chiral center, resulting in an (S) configuration. It is characterized by the presence of a Boc-protected formyl group and a morpholine ring, which contribute to its distinctive properties and potential applications in various fields.

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  • 847805-31-6 Structure
  • Basic information

    1. Product Name: (S)-N-Boc-2-morpholinecarbaldehyde
    2. Synonyms: (S)-N-Boc-2-morpholinecarbaldehyde;tert-Butyl (2S)-2-formylmorpholine-4-carboxylate;(S)-4-Boc-2-formyl-morpholine
    3. CAS NO:847805-31-6
    4. Molecular Formula: C10H17NO4
    5. Molecular Weight: 215.247
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 847805-31-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 309.1°C at 760 mmHg
    3. Flash Point: 140.7°C
    4. Appearance: /
    5. Density: 1.18g/cm3
    6. Vapor Pressure: 0.000655mmHg at 25°C
    7. Refractive Index: 1.515
    8. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. CAS DataBase Reference: (S)-N-Boc-2-morpholinecarbaldehyde(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-N-Boc-2-morpholinecarbaldehyde(847805-31-6)
    12. EPA Substance Registry System: (S)-N-Boc-2-morpholinecarbaldehyde(847805-31-6)
  • 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: 847805-31-6(Hazardous Substances Data)

847805-31-6 Usage

Uses

Used in Pharmaceutical Industry:
(S)-N-Boc-2-morpholinecarbaldehyde is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and reactivity make it a valuable building block for the development of new drugs with potential therapeutic applications.
Used in Allergy Treatment:
(S)-N-Boc-2-morpholinecarbaldehyde is used as a zwitterionic chemokine receptor, specifically a CCR3 antagonist, with selectivity and outstanding pharmacokinetics. This makes it a promising candidate for the development of allergy treatments, as it can potentially modulate the immune response and alleviate allergic symptoms.
Used in Drug Discovery and Development:
Due to its unique structure and properties, (S)-N-Boc-2-morpholinecarbaldehyde can be employed in drug discovery and development processes. It can be used to design and synthesize novel compounds with potential therapeutic effects, contributing to the advancement of medicine and healthcare.

Check Digit Verification of cas no

The CAS Registry Mumber 847805-31-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,7,8,0 and 5 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 847805-31:
(8*8)+(7*4)+(6*7)+(5*8)+(4*0)+(3*5)+(2*3)+(1*1)=196
196 % 10 = 6
So 847805-31-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h7-8H,4-6H2,1-3H3/t8-/m0/s1

847805-31-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl (2S)-2-formylmorpholine-4-carboxylate

1.2 Other means of identification

Product number -
Other names (S)-N-Boc-2-morpholinecarbaldehyde

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:847805-31-6 SDS

847805-31-6Relevant articles and documents

MDM2 DEGRADERS AND USES THEREOF

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Paragraph 00988; 00989-00990, (2021/09/26)

The present invention relates to compounds and methods useful for the modulation of mouse double minute 2 homolog ("MDM2") protein via ubiquitination and/or degradation by compounds according to the present invention.

IRAK DEGRADERS AND USES THEREOF

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Paragraph 00962; 004168-004170, (2020/06/19)

The present invention provides compounds, compositions thereof, and methods of using the same.

DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF

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Paragraph 0214; 0215, (2019/07/18)

The present invention relates to a dihydropyrimidine compound having an antiviral activity, a pharmaceutical composition comprising same, a preparation method therefor and the uses thereof in the prevention or treatment of viral diseases including, but no

PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS

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Page/Page column 90, (2017/04/11)

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

BENZO[B]FURANS AS BROMODOMAIN INHIBITORS

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Page/Page column 75; 76, (2017/11/06)

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

CXCR4 Receptor Antagonists

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Paragraph 0370; 0371, (2013/11/06)

Disclosed are compounds that are antagonists of the CXCR4 receptor.

Design and synthesis of reboxetine analogs morpholine derivatives as selective norepinephrine reuptake inhibitors

Xu, Wenjian,Gray, David L.,Glase, Shelly A.,Barta, Nancy S.

scheme or table, p. 5550 - 5553 (2009/05/30)

As part of a discovery effort aimed at identifying novel norepinephrine reuptake inhibitors (NRIs), a number of substituted morpholines were designed and synthesized. The target compounds contain vicinal stereogenic centers, and the program was greatly facilitated by the adoption of efficient synthetic routes which allowed for the late stage incorporation of structural and physicochemical diversity into the targets. Structure-activity relationships were developed by optimizing individual ring components of the structure for NRI potency and for selectivity against other monoamine reuptake transporters. Several novel morpholine derivatives with a potent and selective NRI profile are described.

Development of SPECT imaging agents for the norepinephrine transporters: [123I]INER

Tamagnan, Gilles D.,Brenner, Eric,Alagille, David,Staley, Julie K.,Haile, Colin,Koren, Andrei,Early, Michelle,Baldwin, Ronald M.,Tarazi, Frank I.,Baldessarini, Ross J.,Jarkas, Nachwa,Goodman, Mark M.,Seibyl, John P.

, p. 533 - 537 (2007/10/03)

A series of reboxetine analogs was synthesized and evaluated for in vitro binding as racemic mixtures. The best candidate (INER) was synthesized as the optically pure (S,S) enantiomer, labeled with iodine-123 and its in vivo binding determined by SPECT im

NOREPINEPHRINE TRANSPORTER RADIOTRACERS AND METHODS OF SYNTHESES THEREOF

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Page/Page column 52; 53, (2008/06/13)

The present invention provides compounds and radiotracers thereof for locating, diagnosing, identifying, evaluating, detecting or quantitating NET by in vivo imaging. The invention also provides methods for locating, diagnosing, identifying, evaluating, detecting or quantitating NET, using radiotracers of high-affinity or labeled compounds of the invention, which exhibit low toxicity, can cross the blood-brain barrier and, preferably, distinguish among normal and abnormal brains. For example, a radiotracer of the invention can be administered to a patient in an amount suitable for in vivo imaging thereof. Preferably, radiotracers of the invention can also be used to locate, diagnosis, identify, evaluate, detect and quantitate NET in such diseases, disorders, conditions or maladies as, without limitation, depression, anxiety, ADHD and drug dependency.

Asymmetric synthesis of (+)-(S,S)-reboxetine via a new (S)-2- (hydroxymethyl)morpholine preparation

Brenner, Eric,Baldwin, Ronald M.,Tamagnan, Gilles

, p. 937 - 939 (2007/10/03)

(Chemical Equation Presented) (S,S)-Reboxetine was synthesized stereospecifically in 30% overall yield and 99% ee in eight steps. Key steps were selective oxidation of an N-protected hydroxymethylmorpholine and aryl-chromium-mediated aromatic nucleophilic substitution.

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