6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)

Basic Information

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CAS Number

204697-37-0

Molecular Formula

C46H58N3O10P

Molecular Weight

832.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Solid powder

Solubility

acetonitrile: soluble 0.1M, clear, colorless to faintly yellow (liquid)

SMILES

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CC(C)N(C(C)C)P(OCCCCCCNC(=O)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)OC(=O)C(C)(C)C)OC5=C3C=CC(=C5)OC(=O)C(C)(C)C)OCCC#N

InChI

InChI=1S/C46H58N3O10P/c1-29(2)49(30(3)4)60(55-25-15-22-47)54-24-14-12-11-13-23-48-40(50)31-16-19-34-37(26-31)46(59-41(34)51)35-20-17-32(56-42(52)44(5,6)7)27-38(35)58-39-28-33(18-21-36(39)46)57-43(53)45(8,9)10/h16-21,26-30H,11-15,23-25H2,1-10H3,(H,48,50)

InChIKey

MGPYJVWEJNTXLC-UHFFFAOYSA-N

LogP

10.236699999999995

Topological Polar Surface Area

138.93 Å²

Hydrogen Bond Donor/Acceptor

1 / 12

Complexity

1470

Synonyms & References

English

5'-Fluorescein phosphoramidite
BP-22715
R10-0005
MFCD01940925
6-FAM-phosphoramidite, >=95.0% (HPLC)
DTXSID80728831
BCP17008
6-(3',6'-Dipivaloylfluoresceinyl-6-carboxamido)-hexyl-1-O-(2-cyanoethyl)-(N,N-diisopropyl)-phosphoramidite
SCHEMBL12123520
HY-D1221
Propanoic acid, 2,2-dimethyl-, 1,1'-[6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl] ester
5'-6-FAM-PhosphoraMidite
6-fam phosphoramidite
CS-0143771
6-Fluorescein Phosphoramidite
[6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-6'-(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate
5'(6)-FAM
6-((6-(((2-cyanoethoxy)(diisopropylamino)phosphanyl)oxy)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)
6-Fluorescein Phosphoramidite, configured for ABI
Propanoicacid,2,2-dimethyl-,1,1'-[6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl]ester
204697-37-0
FAM phosphoramidite, 6-isomer
6-Fluorescein Phosphoramidite, configured for ABI, configured for ??KTA(R) and OligoPilot(R)
Propanoic acid, 2,2-dimethyl-,6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl ester
A929981
AKOS037621715
6-((6-(((2-Cyanoethoxy)(diisopropylamino)phosphaneyl)oxy)hexyl)carbamoyl)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate)
Propanoic acid,2,2-dimethyl-,1,1'-[6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl]ester
6-FAM Phosphoramidite
6-FAM PHOSPHORAMIDITE [5'-FLUORESCEIN PHOSPHORAMIDITE]
Propanoic acid,2,2-dimethyl-,1,1'-[6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-3-o

MDL Number

MFCD01940925

FAQ

What are the physical and chemical properties of 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0)?

This compound is a bisester with a molecular weight around 1400 g/mol. Its crystalline form exhibits high stability but has limited solubility in common organic solvents. It is not particularly reactive under normal conditions but can undergo hydrolysis in basic conditions. It is sensitive to light and temperature, which can affect its structural integrity.

How is 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0) typically synthesized?

This compound is synthesized via a multistep process involving the coupling of a phosphino-protected hexyl chain with a carbamoylated xanthene derivative. The synthesis requires careful control of pH and temperature, with the use of suitable catalysts for high yield and selectivity. Commonly, triphenylphosphine and pyridine are used as catalysts.

What industries use 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0)?

This compound has applications in the pharmaceutical industry for its potential use as a drug candidate, and in the semiconductor industry for its use as a dopant material. It is also explored in the development of advanced sensors and as a component in certain polymers.

What precautions should be taken when handling 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0)?

Proper handling requires the use of personal protective equipment (PPE) such as gloves and safety glasses. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled with care using appropriate spill kits, and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions. It is important to ensure proper ventilation and the use of fume hoods during handling to minimize exposure to potential hazards.

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6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) | CAS No. 204697-37-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0)?

How is 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0) typically synthesized?

What industries use 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0)?

What precautions should be taken when handling 6-[(6-{[(2-Cyanoethoxy)(diisopropylamino)phosphino]oxy}hexyl)carbamoyl]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl bis(2,2-dimethylpropanoate) (CAS: 204697-37-0)?

Related Compounds

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