2-Morpholino-5-nitrobenzaldehyde

Base Information

• Chemical Name: 2-Morpholino-5-nitrobenzaldehyde
• CAS No.: 30742-62-2
• Molecular Formula: C11H12N2O4
• Molecular Weight: 236.227
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50383471
• Nikkaji Number: J2.648.091D
• Wikidata: Q82175198
• ChEMBL ID: CHEMBL1424784
• Mol file: 30742-62-2.mol

Synonyms:2-morpholino-5-nitrobenzaldehyde;30742-62-2;2-Morpholino-5-nitrobenzenecarbaldehyde;2-(Morpholin-4-yl)-5-nitrobenzaldehyde;2-morpholin-4-yl-5-nitrobenzaldehyde;4-(2-Formyl-4-nitrophenyl)morpholine;2-(4-morpholinyl)-5-nitrobenzaldehyde;BASICVIOLET11;MLS000681083;SCHEMBL1475607;CHEMBL1424784;DTXSID50383471;PCGDWIWUQDHQLK-UHFFFAOYSA-N;HMS2564F23;MFCD00439921;STL293656;AKOS000289127;2-morpholin-4-yl-5-nitro-benzaldehyde;MB-0810;SMR000269340;CS-0312861;FT-0613101;A820595;SR-01000236044;J-510123;SR-01000236044-1

Chemical Property of 2-Morpholino-5-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 7.75E-08mmHg at 25°C
• Melting Point: 115oC
• Boiling Point: 437oC at 760 mmHg
• Flash Point: 218.1oC
• PSA: 75.36000
• Density: 1.34g/cm3
• LogP: 1.83210
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 236.07970687
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

98%min ^*data from raw suppliers

2-(Morpholin-4-yl)-5-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=O

Technology Process of 2-Morpholino-5-nitrobenzaldehyde

There total 2 articles about 2-Morpholino-5-nitrobenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

morpholine (110-91-8,99108-56-2) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 2-(N-morpholinyl)-5-nitrobenzaldehyde (30742-62-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 4h;

DOI:10.1021/jm200326p

Reference yield: 89.0%

→ 2-(N-morpholinyl)-5-nitrobenzaldehyde (30742-62-2)

Guidance literature:

Reference yield: 100.0%

N-methyl-N-allylamine (627-37-2) + 2-(N-morpholinyl)-5-nitrobenzaldehyde (30742-62-2) → allylmethyl-(2-morpholin-4-yl-5-nitrobenzyl)amine (1354567-00-2)

Guidance literature:

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃;

DOI:10.1021/jm201112g

upstream raw materials:

morpholine

2-chloro-5-nitrobenzaldehyde

Downstream raw materials:

4-(2-morpholin-4-yl-5-nitro-benzylidene)-2-phenyl-4H-oxazol-5-one

bis-(2-morpholin-4-yl-5-nitro-benzylidene)-hydrazine

2-morpholin-4-yl-5-nitro-benzaldehyde (toluene-4-sulfonyl)-hydrazone

1,3-dimethyl-5-(2-morpholino-5-nitrobenzylidene)hexahydropyrimidine-2,4,6-trione

Refernces

• 1、 -. "2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS". Page/Page column 76. . Retrieved 2014/10/29.
• 2、 William, Anthony D.,Lee, Angeline C.-H.,Blanchard, Stéphanie,Poulsen, Anders,Teo, Ee Ling,Nagaraj, Harish,Tan, Evelyn,Chen, Dizhong,Williams, Meredith,Sun, Eric T.,Goh, Kee Chuan,Ong, Wai Chung,Goh, Siok Kun,Hart, Stefan,Jayaraman, Ramesh,Pasha, Mohammed Khalid,Ethirajulu, Kantharaj,Wood, Jeanette M.,Dymock, Brian W.. "Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7, 26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27) ,16,21,23-decaene (SB1518), a potent Janus Kinase 2/Fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma". experimental part. p. 4638 - 4658. Retrieved 2011/09/14.