di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) (CAS 819867-21-5) — formula C22H31O2P, molecular weight 358.5; category organic chemicals.
di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) is a carbon-based organic compound with CAS registry number 819867-21-5 and molecular formula C22H31O2P (molecular weight 358.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 819867-21-5
Its molecular formula C22H31O2P comprises 22 C, 31 H, 2 O, 1 P atoms.
Also known as: di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) · di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)
Category: organic chemicals
The CAS registry number of di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) is 819867-21-5.
Molecular formula C22H31O2P, molecular weight 358.5.
It is also registered under: di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate), di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate).
Category: Organic Chemicals.
Public-database records for di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) (CAS 819867-21-5), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
| CAS Registry Number | 819867-21-5 |
|---|---|
| PubChem CID | 67475893 |
| 分子式 | C22H31O2P |
| IUPAC 名称 | ditert-butyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane |
DI-TERT-BUTYL({2',6'-DIMETHOXY-[1,1'-BIPHENYL]-2-YL})PHOSPHANE; Di-tert-butyl((2',6'-dimethoxy-(1,1'-biphenyl)-2-yl))phosphane; RefChem:586114; 101-695-4; 819867-21-5; Di-tert-butyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine; 2-(Di-tert-butylphosphino)-2',6'-dimethoxybiphenyl; MFCD22199799; ditert-butyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane; SCHEMBL2620734; DTXSID00737324; CS-0085779; F17209; (2',6'-Dimethoxy[1,1'-biphenyl]-2-yl)bis(1,1-dimethylethyl)phosphine; tBuSPhos; AMY39349
| 分子量 | 358.5 |
|---|---|
| XLogP3 | 5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 358.20616723 |
| 单同位素质量 | 358.20616723 |
| 拓扑极性表面积 | 18.5 |
| 重原子数 | 25 |
| 形式电荷 | 0 |
di-tert-butyl 2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(2-amino-5-fluoro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) · CAS 819867-21-5 · C22H31O2P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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