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Methyl 2,6-diisocyanatocaproate - CAS 4460-02-0

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Category
Main Product
Product Name
Methyl 2,6-diisocyanatocaproate
Catalog Number
4460-02-0
Synonyms
2,6-Diisocyanatohexanoic Acid; LDI; Lysine diisocyanate methyl ester; Lysine methyl ester diisocyanate; Methyl 2,6-diisocyanatocaproate; Methyl α,ε-diisocyanatocaproate
CAS Number
4460-02-0
Description
Methyl 2,6-diisocyanatocaproate is a biocompatible component useful for forming compounds for use as medical/surgical synthetic adhesives and sealants.
Molecular Weight
212.20
Molecular Formula
C9H12N2O4
Quantity
Grams-Kilos
Quality Standard
In-house Standard
COA
Certificate of Analysis-Methyl 2,6-diisocyanatocaproate 4460-02-0 B15Q0525  
MSDS
Inquire
Canonical SMILES
COC(=O)C(CCCCN=C=O)N=C=O
InChI
InChI=1S/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3
InChIKey
AYLRODJJLADBOB-UHFFFAOYSA-N
Size Price Stock Quantity
50 mg $298 In stock
100 mg $498 In stock
1 g $998 In stock

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Structure
CAS 4460-02-0 Methyl 2,6-diisocyanatocaproate
Specification
Purity
≥ 95.0%
Boiling Point
123 °C | Condition: Press: 0.45 Torr
Density
1.15 g/cm3
Appearance
Yellow Oil
Application
A biocompatible component useful for forming compounds for use as medical/surgical synthetic adhesives and sealants.
Storage
-20ºC Freezer, Under Inert Atmosphere
Reference Reading
1.Some new nano-sized Cr(III), Fe(II), Co(II), and Ni(II) complexes incorporating 2-((E)-(pyridine-2-ylimino)methyl)napthalen-1-ol ligand: Structural characterization, electrochemical, antioxidant, antimicrobial, antiviral assessment and DNA interaction.
Abdel-Rahman LH1, Abu-Dief AM2, Newair EF1, Hamdan SK1. J Photochem Photobiol B. 2016 Apr 8;160:18-31. doi: 10.1016/j.jphotobiol.2016.03.040. [Epub ahead of print]
To estimate the biological preference of synthetic small drugs towards DNA target, new metal based chemotherapeutic agents of nano-sized Cr(III), Fe(II), Co(II) and Ni(II) Schiff base complexes having N,N,O donor system were synthesized and thoroughly characterized by physic-chemical techniques. The redox behavior of the Cr(III), Fe(II) and Co(II) complex was investigated by electrochemical method using cyclic voltammetry. IR results proven that the tridentate binding of Schiff base ligand with metal center during complexation reflects the proposed structure. Magnetic and spectroscopic data give support to octahedral geometry for Cr(III) and Fe(II) complexes and tetrahedral geometry for Ni(II) and Co(II) complexes. The activation thermodynamic parameters, such as, E⁎, ΔH⁎, ΔS⁎ and ΔG⁎ are calculated using Coats-Redfern method by analyzing the TGA data. The particle size of the investigated metal complexes was estimated by TEM. In addition to, the interaction of the nanosized complexes with CT-DNA was estimated by electronic absorption, viscosity and gel electrophoresis.
2.Histamine H3 receptor antagonists display antischizophrenic activities in rats treated with MK-801.
Mahmood D, Akhtar M, Jahan K, Goswami D. J Basic Clin Physiol Pharmacol. 2016 Apr 18. pii: /j/jbcpp.ahead-of-print/jbcpp-2015-0045/jbcpp-2015-0045.xml. doi: 10.1515/jbcpp-2015-0045. [Epub ahead of print]
BACKGROUND: Animal models based on N-methyl-d-aspartate receptor blockade have been extensively used for schizophrenia. Ketamine and MK-801 produce behaviors related to schizophrenia and exacerbated symptoms in patients with schizophrenia, which led to the use of PCP (phencyclidine)- and MK-801 (dizocilpine)-treated animals as models for schizophrenia.
3.Mycotoxin production and predictive modelling kinetics on the growth of Aspergillus flavus and Aspergillus parasiticus isolates in whole black peppercorns (Piper nigrum L).
Yogendrarajah P1, Vermeulen A2, Jacxsens L3, Mavromichali E4, De Saeger S5, De Meulenaer B4, Devlieghere F2. Int J Food Microbiol. 2016 Mar 19;228:44-57. doi: 10.1016/j.ijfoodmicro.2016.03.015. [Epub ahead of print]
The growth and mycotoxin production of three Aspergillus flavus isolates and an Aspergillus parasiticus isolate were studied in whole black peppercorns (Piper nigrum L.) using a full factorial design with seven water activity (aw) (0.826-0.984) levels and three temperatures (22, 30 and 37°C). Growth rates and lag phases were estimated using linear regression. Diverse secondary models were assessed for their ability to describe the radial growth rate as a function of individual and combined effect of aw and temperature. Optimum radial growth rate ranged from 0.75±0.04 to 2.65±0.02mm/day for A. flavus and 1.77±0.10 to 2.50±0.10mm/day for A. parasiticus based on the Rosso cardinal estimations. Despite the growth failure of some isolates at marginal conditions, all the studied models showed good performance to predict the growth rates. Validation of the models was performed on independently derived data. The bias factors (0.73-1.03), accuracy factors (0.
4.Dipolar bent and linear acetylenes substituted by cationic quinolinium and anionic benzoates. Formation of mesomeric betaines.
Schmidt A, Batsyts S, Smeyanov A, Freese T, Hübner EG, Nieger M. J Org Chem. 2016 Apr 18. [Epub ahead of print]
3-Ethynylquinoline was subjected to a Sonogashira-Hagihara reaction with methyl 2-, 3-, and 4-bromobenzoates, respectively, and then N-methylated to give 3-[(-(methoxycarbonyl)phenyl)ethynyl]-1-methylquinolinium salts (two X-ray analyses). On saponification of the 3- and 4-substituted benzoates, the mesomeric betaines 3- and 4-[(1-methylquinolinium-3-yl)ethynyl] benzoates were formed. By contrast, the 2-benzoate derivative gave either the corresponding (1-oxo-1H-isochromen-3-yl)quinolinium derivative, or the mesomeric betaine 2-(1-methylquinolinium-3-yl)-1,3-dioxo-2,3-dihydro-1H-inden-2-ide depending on the reaction conditions. A DFT calculation predicts a transoid conformation of the acetylene bond in the intermediate 2-[(1-methylquinolinium-3-yl)ethynyl]benzoate which is due to a strong hydrogen bond between the carboxylate group and 2-H of the quinolinium ring, in addition to a 1,5-interaction between the carboxylate group and the CC triple bond.
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